SCHEMBL12985452

SCHEMBL12985452

CC(C)C(=O)Nc1ccncn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.48
ALDH1A1 P00352 5/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
TP53 P04637 2/20 0.47
CHRNB2 P17787 1/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA4 P43681 1/20 0.47
EPHX2 P34913 1/20 0.46
LMNA P02545 2/20 0.45
POLB P06746 1/20 0.44
NLRP3 Q96P20 2/20 0.44
ADORA1 P30542 3/20 0.43
ADORA3 P0DMS8 2/20 0.43
ADORA2A P29274 2/20 0.43
ADORA2B P29275 1/20 0.43
ALOX15 P16050 1/20 0.42
KDM4E B2RXH2 1/20 0.42
TYK2 P29597 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1430508 0.79 L3MBTL1 (0.59) CHRNB2CHRNB4CHRNA3CHRNA4EPHX2
SCHEMBL19116526 0.78 SMN1; SMN2 (0.57) ALDH1A1NPC1RAB9ATP53CHRNB2
SCHEMBL5264810 0.77 CHRNB2 (0.55) NPC1RAB9ACHRNB2CHRNB4CHRNA3
SCHEMBL14920816 0.77 MDM2 (0.46) CHRNB2CHRNB4CHRNA3CHRNA4EPHX2
SCHEMBL28755924 0.76 EPHX2 (0.54) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL2666190 0.76 ALDH1A1 (0.71) ALDH1A1NPC1RAB9ATP53LMNA
SCHEMBL22111085 0.76 CHRNB2 (0.48) CYP2C19ALDH1A1CHRNB2CHRNB4CHRNA3
SCHEMBL890246 0.76 CHRNB2 (0.38) CHRNB2CHRNB4CHRNA3CHRNA4EPHX2
SCHEMBL3155546 0.76 MAPK1 (0.66) RAB9ALMNAPOLBMAPTSMN1; SMN2
SCHEMBL5630446 0.76 CHRNB2 (0.50) NPC1RAB9ACHRNB2CHRNB4CHRNA3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2024-07-11 US disclosed
US-11718626-B2 Macrocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-08-08 US disclosed
US-11672800-B2 Combination therapies with EHMT2 inhibitors Epizyme, Inc. (US) 2023-06-13 US disclosed
US-11649229-B2 Amide compounds for treatment of immune and inflammatory disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-05-16 US disclosed
US-20230071620-A1 PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-03-09 US disclosed
US-20210300934-A1 MACROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2021-09-30 US disclosed
US-11084800-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2021-08-10 US disclosed
US-11053253-B2 Macrocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2021-07-06 US disclosed
US-20210122733-A1 AMINO COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS, INC. 2021-04-29 US disclosed
US-20210115034-A1 AMIDE COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS, INC. 2021-04-22 US disclosed
US-20200054635-A1 COMBINATION THERAPIES WITH EHMT2 INHIBITORS Epizyme, Inc. 2020-02-20 US disclosed
US-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2019-02-14 US disclosed
US-20180179185-A1 AMINO COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2018-06-28 US disclosed
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 US disclosed
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 US disclosed
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 US disclosed
US-8486950-B2 Janus kinase inhibitor compounds and methods F. HOFFMANN-LA ROCHE AG (CH) 2013-07-16 US disclosed
US-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2010-12-16 US disclosed
US-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2010-12-16 US disclosed
US-20070049603-A1 Raf inhibitor compounds and methods of use thereof ARRAY BIOPHARMA INC. 2007-03-01 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (17 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210122733-A1 AMINO COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS CFD, TFPI, CFH CYP2C19 2528/4885ALDH1A1 4405/4885NPC1 2733/4885
US-11718626-B2 Macrocyclic compounds for treatment of medical disorders CFD, TFPI, CFH CYP2C19 127/4885ALDH1A1 3904/4885NPC1 245/4885
US-20070049603-A1 Raf inhibitor compounds and methods of use thereof BRAF, RAF1, ARAF CYP2C19 4116/4885ALDH1A1 1842/4885NPC1 1934/4885
US-11053253-B2 Macrocyclic compounds for treatment of medical disorders CFD, TFPI, CFH CYP2C19 127/4885ALDH1A1 3904/4885NPC1 245/4885
US-11649229-B2 Amide compounds for treatment of immune and inflammatory disorders CFD, TFPI, CFH CYP2C19 2230/4885ALDH1A1 3393/4885NPC1 1666/4885
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CYP2C19 1245/4885ALDH1A1 993/4885NPC1 3073/4885
US-20100317643-A1 JANUS KINASE INHIBITOR COMPOUNDS AND METHODS JAK2, JAK1, JAK3 CYP2C19 612/4885ALDH1A1 1560/4885NPC1 2620/4885
US-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TP53, HRAS, KRAS CYP2C19 4448/4885ALDH1A1 2917/4885NPC1 2050/4885
US-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CYP2C19 1231/4885ALDH1A1 1067/4885NPC1 3047/4885
US-20230071620-A1 PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH CYP2C19 104/4885ALDH1A1 3105/4885NPC1 308/4885
US-20180179185-A1 AMINO COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS CFD, TFPI, CFH CYP2C19 2528/4885ALDH1A1 4405/4885NPC1 2733/4885
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CYP2C19 1231/4885ALDH1A1 1067/4885NPC1 3047/4885
US-20200054635-A1 COMBINATION THERAPIES WITH EHMT2 INHIBITORS EHMT2, BHMT, SHMT2 CYP2C19 4578/4885ALDH1A1 430/4885NPC1 1708/4885
US-11084800-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders CFD, TFPI, CFH CYP2C19 34/4885ALDH1A1 2338/4885NPC1 488/4885
US-20210300934-A1 MACROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH CYP2C19 127/4885ALDH1A1 3904/4885NPC1 245/4885
US-11672800-B2 Combination therapies with EHMT2 inhibitors EHMT2, BHMT, SHMT2 CYP2C19 4578/4885ALDH1A1 430/4885NPC1 1708/4885
US-20210115034-A1 AMIDE COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS CFD, TFPI, CFH CYP2C19 2230/4885ALDH1A1 3393/4885NPC1 1666/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.