SCHEMBL12697206

SCHEMBL12697206

Cc1ccc(NC(C)C)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.43
LMNA P02545 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 1/20 0.42
THRB P10828 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
ALOX12 P18054 1/20 0.42
RECQL P46063 1/20 0.42
ATM Q13315 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPSR1 Q6W5P4 1/20 0.39
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38
KCNH3 Q9ULD8 3/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
ABL1 P00519 1/20 0.37
SLC22A12 Q96S37 1/20 0.36

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
SCHEMBL15223665 0.83 NPSR1 (0.41) LMNAALDH1A1NPSR1KCNQ3KCNQ2
SCHEMBL5069800 0.82 HDAC1 (0.38) LMNAALDH1A1ATMNPSR1KCNQ3
SCHEMBL12697232 0.80 TP53 (0.61) TDP1ALDH1A1CYP3A4THRBALOX15
SCHEMBL26698513 0.77 KDM4E (0.54) ALDH1A1HDAC1HDAC6
SCHEMBL6962820 0.77 NAMPT (0.49) LMNAALDH1A1SLC22A12MAPT
SCHEMBL12380190 0.77 KCNH3 (0.44) TDP1LMNAALDH1A1CYP3A4THRB
SCHEMBL2483169 0.77 NOS3 (0.45) TDP1LMNAALDH1A1CYP3A4THRB
SCHEMBL3824428 0.77 KCNQ3 (0.42) TDP1LMNAALDH1A1CYP3A4THRB
SCHEMBL12695030 0.77 TDP1 (0.41) TDP1LMNAALDH1A1CYP3A4THRB
SCHEMBL22137313 0.77 NPSR1 (0.43) ALDH1A1NPSR1KCNQ3KCNQ2HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220220106-A1 QUINOLINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF ACADEMY OF MILITARY MEDICAL SCIENCES (CN) 2022-07-14 US disclosed
US-11207420-B2 Cytotoxin and conjugate, uses of same and preparation method therefor SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2021-12-28 US disclosed
WO-2021067805-A1 OXALAMIDE HETEROBYCYCLIC COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2021-04-08 WO disclosed
WO-2020216350-A1 QUINOLINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF 中国人民解放军军事科学院军事医学研究院 2020-10-29 WO disclosed
US-20200179529-A1 CYTOTOXIN AND CONJUGATE, USES OF SAME AND PREPARATION METHOD THEREFOR SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2020-06-11 US disclosed
US-10385070-B2 Chroman-spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-08-20 US disclosed
US-20180117060-A1 COMBINATION OF CATALYTIC MTORC 1/2 INHIBITORS AND SELECTIVE INHIBITORS OF AURORA A KINASE MILLENNIUM PHARM INC (US) 2018-05-03 US disclosed
US-9724354-B2 Combination of catalytic mTORC1/2 inhibitors and selective inhibitors of Aurora A kinase MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-08-08 US disclosed
US-20160095858-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-04-07 US disclosed
US-9233979-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-12 US disclosed
US-20150266895-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-09-24 US disclosed
US-8476431-B2 Benzoxazole kinase inhibitors and methods of use Itellikine LLC (US) 2013-07-02 US disclosed
US-8450480-B2 2013-05-28 US disclosed
US-20120245136-A1 CHROMAN-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2012-09-27 US disclosed
US-20100190749-A1 Benzoxazole kinase inhibitors and methods of use FAETH THERAPEUTICS, INC. 2010-07-29 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 (9 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-11207420-B2 Cytotoxin and conjugate, uses of same and preparation method therefor CD2, HAVCR2, CD4 TDP1 3071/4885LMNA 3341/4885ALDH1A1 3938/4885
US-20150266895-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MAPK1, MAPK10, MAP3K1 TDP1 2597/4885LMNA 4603/4885ALDH1A1 545/4885
US-20120245136-A1 CHROMAN-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS KCNJ2, KCNJ1, KCNC1 TDP1 3694/4885LMNA 1347/4885ALDH1A1 1764/4885
US-20200179529-A1 CYTOTOXIN AND CONJUGATE, USES OF SAME AND PREPARATION METHOD THEREFOR CD2, HAVCR2, CD4 TDP1 3071/4885LMNA 3341/4885ALDH1A1 3938/4885
US-20180117060-A1 COMBINATION OF CATALYTIC MTORC 1/2 INHIBITORS AND SELECTIVE INHIBITORS OF AURORA A KINASE AURKC, MTOR, AURKA TDP1 1285/4885LMNA 1302/4885ALDH1A1 4335/4885
US-20220220106-A1 QUINOLINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF MTOR, RICTOR, EIF4E TDP1 4643/4885LMNA 1941/4885ALDH1A1 4720/4885
US-20100190749-A1 Benzoxazole kinase inhibitors and methods of use BMX, MTOR, PDPK1 TDP1 2799/4885LMNA 3015/4885ALDH1A1 4042/4885
US-10385070-B2 Chroman-spirocyclic piperidine amides as modulators of ion channels KCNJ2, KCNJ1, KCNC1 TDP1 3694/4885LMNA 1347/4885ALDH1A1 1764/4885
US-20160095858-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator CFTR, SCNN1B, SLC26A4 TDP1 4837/4885LMNA 3018/4885ALDH1A1 3524/4885

“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.