SCHEMBL15910262

SCHEMBL15910262

Cc1csc2c1CCNC2

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.42
PNMT P11086 6/20 0.39
ADORA1 P30542 2/20 0.35
MAPT P10636 1/20 0.34
MEN1 O00255 1/20 0.33
GABRA1 P14867 1/20 0.33
CYP2C19 P33261 1/20 0.33
GABRB2 P47870 1/20 0.33
KMT2A Q03164 1/20 0.33
GMNN O75496 1/20 0.32
BLM P54132 1/20 0.32
CD44 P16070 1/20 0.32
SIGMAR1 Q99720 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
NR2E3 Q9Y5X4 1/20 0.31

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
SCHEMBL2996134 0.86 PNMT (0.36) APEX1PNMTMAPTCYP2C19ALDH1A1
SCHEMBL6421619 0.84 PNMT (0.44) APEX1PNMT
SCHEMBL17377150 0.78 APEX1 (0.43) APEX1PNMTMEN1GABRA1CYP2C19
SCHEMBL18379152 0.76 CD44 (0.43) APEX1PNMTADORA1MEN1GABRA1
SCHEMBL18368345 0.76 APEX1 (0.40) APEX1PNMTMEN1GABRA1CYP2C19
SCHEMBL21263695 0.76 APEX1 (0.40) APEX1PNMTADORA1MEN1GABRA1
SCHEMBL15908241 0.76 APEX1 (0.40) APEX1PNMTADORA1MEN1GABRA1
SCHEMBL15848407 0.73 PNMT (0.41) APEX1PNMTMEN1GABRA1CYP2C19
SCHEMBL13021599 0.72 HPGD (0.44) MAPTCYP2C19ALDH1A1HPGDNR2E3
SCHEMBL3715448 0.71 PTPRC (0.42) APEX1PNMTADORA1MAPTGABRA1

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
EP-3896064-A1 4,6-DIAMINO-QUINOLINE-3-CARBONITRILE DERIVATIVES AS CANCER OSAKA THYROID (COT) MODULATORS FOR TREATING CROHN'S DISEASE AND ULCERATIVE COLITIS Gilead Sciences, Inc. (US) 2021-10-20 EP disclosed
EP-3456717-B1 4,6-DIAMINO-QUINOLINE-3-CARBONITRILE DERIVATIVE AS CANCER OSAKA THYROID (COT) MODULATOR FOR TREATING INFLAMMATORY DISEASE GILEAD SCIENCES INC (US) 2021-03-17 EP disclosed
WO-2020252151-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. (US) 2020-12-17 WO disclosed
EP-3617192-A1 VIRAL REPLICATION INHIBITORS Katholieke Universiteit Leuven K.U. Leuven R&D (BE) 2020-03-04 EP disclosed
EP-2760831-B1 VIRAL REPLICATION INHIBITORS UNIV LEUVEN KATH (BE) 2019-08-07 EP disclosed
EP-3456717-A1 TABLETS CONTAINING 4,6-DIAMINO-QUINOLINE-3-CARBONITRILE DERIVATIVES AS CANCER OSAKA THYROID (COT) MODULATORS FOR TREATING CANCER GILEAD SCIENCES, INC. (US) 2019-03-20 EP disclosed
US-20170210751-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-07-27 US disclosed
US-20170210751-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-07-27 US disclosed
US-20170210751-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-07-27 US disclosed
US-20170152240-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2017-06-01 US disclosed
EP-3160466-A2 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-05-03 EP disclosed
US-20170008905-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2017-01-12 US disclosed
WO-2015200677-A2 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2015-12-30 WO disclosed
WO-2015200677-A2 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2015-12-30 WO disclosed
US-20140213586-A1 VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2014-07-31 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 (4 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-20140213586-A1 VIRAL REPLICATION INHIBITORS EIF2AK2, MAVS, ZC3HAV1 APEX1 3008/4885PNMT 1286/4885ADORA1 2992/4885
US-20170152240-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS APEX1 2318/4885PNMT 476/4885ADORA1 2872/4885
US-20170008905-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS APEX1 2318/4885PNMT 476/4885ADORA1 2872/4885
US-20170210751-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 APEX1 1474/4885PNMT 523/4885ADORA1 2436/4885

“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.