SCHEMBL19699490

SCHEMBL19699490

Cc1cncc(NC(=O)C(C)C)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.41
ADORA2A P29274 2/20 0.41
ADORA1 P30542 2/20 0.41
ADORA2B P29275 1/20 0.40
GRM5 P41594 1/20 0.40
CDK5 Q00535 2/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
CYP2C19 P33261 1/20 0.39
XIAP P98170 1/20 0.38
MAP4K1 Q92918 1/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP1A2 P05177 1/20 0.38
GAA P10253 1/20 0.38
CYP2C9 P11712 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38

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
SCHEMBL19699477 0.81 FFAR2 (0.42) ADORA3ADORA2AADORA1ADORA2BCDK5
SCHEMBL15627411 0.81 CCNE1 (0.41) ADORA3ADORA2AADORA1ADORA2BCDK5
SCHEMBL25954768 0.81 ADORA3 (0.40) ADORA3ADORA2AADORA1ADORA2BCDK5
SCHEMBL1431348 0.79 KDM4E (0.47) ADORA3ADORA2AADORA1ADORA2BGRM5
SCHEMBL19699498 0.78 SCN10A (0.44) ADORA3ADORA2AADORA1ADORA2BALDH1A1
SCHEMBL19699481 0.78 PRKD3 (0.40) ADORA3ADORA2AADORA1ADORA2BCDK5
SCHEMBL19699558 0.77 CHEK1 (0.41) ADORA3ADORA2AADORA1ADORA2BGRM5
SCHEMBL15006458 0.76 RAB9A (0.46) GRM5CDK5MAP4K1ALDH1A1MAPT
SCHEMBL19699466 0.76 ADORA3 (0.40) ADORA3ADORA2AADORA1ADORA2BCDK5
SCHEMBL24598576 0.75 RAB9A (0.68) GRM5XIAPMAPTSMN1; SMN2NPC1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-11-09 US disclosed
US-11718626-B2 Macrocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-08-08 US disclosed
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-07-25 US disclosed
US-11649223-B2 Amino compounds for treatment of immune and inflammatory disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-05-16 US disclosed
US-20180201580-A1 COMPOUNDS FOR TREATMENT OF IMMUNE INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2018-07-19 US disclosed
US-20180186782-A1 AMIDE COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2018-07-05 US disclosed
US-20180179185-A1 AMINO COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2018-06-28 US disclosed
US-20180179186-A1 ARYL, HETEROARYL, AND HETEROCYCLIC 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-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 US disclosed
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 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 (10 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-20180186782-A1 AMIDE COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS CFD, TFPI, CFH ADORA3 3082/4885ADORA2A 3530/4885ADORA1 2190/4885
US-11718626-B2 Macrocyclic compounds for treatment of medical disorders CFD, TFPI, CFH ADORA3 1909/4885ADORA2A 2969/4885ADORA1 2402/4885
US-20180179186-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS CFD, TFPI, CFH ADORA3 2154/4885ADORA2A 2398/4885ADORA1 2241/4885
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders CFD, TFPI, CFH ADORA3 642/4885ADORA2A 1470/4885ADORA1 1414/4885
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ADORA3 3318/4885ADORA2A 3217/4885ADORA1 2592/4885
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH ADORA3 642/4885ADORA2A 1470/4885ADORA1 1414/4885
US-20180179185-A1 AMINO COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS CFD, TFPI, CFH ADORA3 2308/4885ADORA2A 2917/4885ADORA1 1582/4885
US-11649223-B2 Amino compounds for treatment of immune and inflammatory disorders CFD, TFPI, CFH ADORA3 2308/4885ADORA2A 2917/4885ADORA1 1582/4885
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ADORA3 3249/4885ADORA2A 3184/4885ADORA1 2574/4885
US-20180201580-A1 COMPOUNDS FOR TREATMENT OF IMMUNE INFLAMMATORY DISORDERS CFD, TFPI, CFH ADORA3 3438/4885ADORA2A 3707/4885ADORA1 2501/4885

“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.