SCHEMBL18368397

SCHEMBL18368397

COc1ccnc2cccc(C(C)C)c12

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.41
KRAS P01116 2/20 0.40
SOS1 Q07889 2/20 0.40
ELANE P08246 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
DCPS Q96C86 1/20 0.38
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
PLAU P00749 1/20 0.37

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
SCHEMBL27010719 0.82 ELANE (0.43) ELANEKDM4EALDH1A1HPGD
SCHEMBL18368390 0.77 ELANE (0.40) ELANEHPGD
SCHEMBL18378884 0.77 TGFBR1 (0.45) TGFBR1ELANEKDM4EALDH1A1HPGD
SCHEMBL23979801 0.76 ELANE (0.39) ELANEKDM4EALDH1A1HPGD
SCHEMBL8781923 0.76 TGFBR1 (0.43) TGFBR1KDM4EALDH1A1HPGDDCPS
SCHEMBL26317662 0.76 TGFBR1 (0.45) TGFBR1KDM4EALDH1A1HPGDDCPS
SCHEMBL8781926 0.76 DCPS (0.47) TGFBR1KDM4EALDH1A1HPGDDCPS
SCHEMBL827170 0.74 ELANE (0.42) ELANEHPGD
SCHEMBL23097812 0.73 TGFBR1 (0.44) TGFBR1ELANEKDM4EALDH1A1HPGD
SCHEMBL13391679 0.73 LPAR1 (0.43) KDM4EALDH1A1HPGDDCPS

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-11827662-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2023-11-28 US disclosed
US-11827662-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2023-11-28 US disclosed
US-20230219947-A1 INHIBITORS OF AV ß6 INTEGRIN MORPHIC THERAPEUTIC, INC. 2023-07-13 US disclosed
US-20230219947-A1 INHIBITORS OF AV ß6 INTEGRIN MORPHIC THERAPEUTIC, INC. 2023-07-13 US disclosed
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
US-10947259-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2021-03-16 US disclosed
US-20200392170-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2020-12-17 US disclosed
WO-2020047208-A1 INHIBITORS OF (ALPHA-V)(BETA-6) INTEGRIN MORPHIC THERAPEUTIC, INC. (US) 2020-03-05 WO 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-9878995-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2018-01-30 US disclosed
US-9878995-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2018-01-30 US disclosed
US-20170152240-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2017-06-01 US disclosed
US-20170152240-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2017-06-01 US disclosed
WO-2017007689-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. (US) 2017-01-12 WO disclosed
US-20170008905-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2017-01-12 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 (6 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-20200392170-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS TGFBR1 4432/4885KRAS 1466/4885SOS1 2992/4885
US-20230219947-A1 INHIBITORS OF AV ß6 INTEGRIN ITGB6, ITGA6, GP6 TGFBR1 933/4885KRAS 1692/4885SOS1 3355/4885
US-10947259-B2 Cot modulators and methods of use thereof BRDT, THRB, HCCS TGFBR1 4432/4885KRAS 1466/4885SOS1 2992/4885
US-20170152240-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS TGFBR1 4432/4885KRAS 1466/4885SOS1 2992/4885
US-20170008905-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS TGFBR1 4432/4885KRAS 1466/4885SOS1 2992/4885
US-11827662-B2 Cot modulators and methods of use thereof BRDT, THRB, HCCS TGFBR1 4432/4885KRAS 1466/4885SOS1 2992/4885

“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.