SCHEMBL1460341

SCHEMBL1460341

Nc1ccc(-c2ccnc(-c3ccc[nH]3)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.50
KDR P35968 3/20 0.47
MAPKAPK2 P49137 1/20 0.40
CDK5 Q00535 3/20 0.40
CDK5R1 Q15078 3/20 0.40
ADORA2A P29274 1/20 0.38
RIPK1 Q13546 1/20 0.38
ASIC3 Q9UHC3 1/20 0.38
NTRK1 P04629 1/20 0.36
MAP4K4 O95819 1/20 0.35
TAAR1 Q96RJ0 2/20 0.35
PRKCZ Q05513 1/20 0.35
IKBKE Q14164 1/20 0.34
TBK1 Q9UHD2 1/20 0.34
CYP3A4 P08684 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL20748504 0.86 KDM4C (0.49) KDM4CKDRADORA2AASIC3NTRK1
SCHEMBL28427582 0.77 ASIC3 (0.53) KDRMAPKAPK2ASIC3MAP4K4TAAR1
SCHEMBL18573407 0.75 ASIC3 (0.67) MAPKAPK2ADORA2AASIC3MAP4K4TAAR1
SCHEMBL15690747 0.75 ASIC3 (0.67) MAPKAPK2ADORA2AASIC3MAP4K4TAAR1
SCHEMBL20748703 0.74 KDR (0.56) KDM4CKDRMAPKAPK2NTRK1CYP3A4
SCHEMBL1399681 0.73 KDM4E (0.50) KDM4CASIC3TAAR1CYP3A4TDP1
SCHEMBL5522367 0.73 HDAC1 (0.48) CDK5CDK5R1ADORA2ARIPK1ASIC3
SCHEMBL18745801 0.73 AAK1 (0.50) MAPKAPK2ASIC3NTRK1MAP4K4PRKCZ
SCHEMBL18745799 0.73 AAK1 (0.50) MAPKAPK2ASIC3NTRK1MAP4K4PRKCZ
SCHEMBL16139800 0.71 KDM4C (0.57) KDM4CKDRMAPKAPK2CDK5CDK5R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2473501-B1 COMPOUNDS AS TYROSINE KINASE MODULATORS ALLERGAN INC (US) 2019-02-20 EP disclosed
EP-2473501-B1 COMPOUNDS AS TYROSINE KINASE MODULATORS ALLERGAN INC (US) 2019-02-20 EP disclosed
US-9725433-B2 Compounds as tyrosine kinase modulators ALLERGAN, INC. (US) 2017-08-08 US disclosed
US-9725433-B2 Compounds as tyrosine kinase modulators ALLERGAN, INC. (US) 2017-08-08 US disclosed
US-9725433-B2 Compounds as tyrosine kinase modulators ALLERGAN, INC. (US) 2017-08-08 US disclosed
US-20170066738-A1 COMPOUNDS AS TYROSINE KINASE MODULATORS ALLERGAN, INC. 2017-03-09 US disclosed
US-20170066738-A1 COMPOUNDS AS TYROSINE KINASE MODULATORS ALLERGAN, INC. 2017-03-09 US disclosed
US-20170066738-A1 COMPOUNDS AS TYROSINE KINASE MODULATORS ALLERGAN, INC. 2017-03-09 US disclosed
US-9475801-B2 Compounds as tyrosine kinase modulators ALLERGAN, INC. (US) 2016-10-25 US disclosed
US-9475801-B2 Compounds as tyrosine kinase modulators ALLERGAN, INC. (US) 2016-10-25 US disclosed
US-20140100212-A1 COMPOUNDS AS TYROSINE KINASE MODULATORS ALLERGAN, INC. (US) 2014-04-10 US disclosed
US-8614234-B2 Compounds as tyrosine kinase modulators ALLERGAN, INC. (US) 2013-12-24 US disclosed
US-20130065880-A1 COMPOUNDS AS TYROSINE KINASE MODULATORS ALLERGAN, INC. (US) 2013-03-14 US disclosed
US-20130065880-A1 COMPOUNDS AS TYROSINE KINASE MODULATORS ALLERGAN, INC. (US) 2013-03-14 US disclosed
US-20130065880-A1 COMPOUNDS AS TYROSINE KINASE MODULATORS ALLERGAN, INC. (US) 2013-03-14 US disclosed
EP-2473501-A1 COMPOUNDS AS TYROSINE KINASE MODULATORS Allergan, Inc. (US) 2012-07-11 EP disclosed
WO-2011028995-A1 COMPOUNDS AS TYROSINE KINASE MODULATORS ALLERGAN, INC. (US) 2011-03-10 WO disclosed
US-20110053905-A1 COMPOUNDS AS TYROSINE KINASE MODULATORS ALLERGAN, INC. (US) 2011-03-03 US disclosed
US-20110053905-A1 COMPOUNDS AS TYROSINE KINASE MODULATORS ALLERGAN, INC. (US) 2011-03-03 US disclosed
US-20110053905-A1 COMPOUNDS AS TYROSINE KINASE MODULATORS ALLERGAN, INC. (US) 2011-03-03 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-20130065880-A1 COMPOUNDS AS TYROSINE KINASE MODULATORS ABL1, ERBB2, LCK KDM4C 2656/4885KDR 111/4885MAPKAPK2 112/4885
US-20110053905-A1 COMPOUNDS AS TYROSINE KINASE MODULATORS ABL1, ERBB2, LCK KDM4C 2656/4885KDR 111/4885MAPKAPK2 112/4885
US-20170066738-A1 COMPOUNDS AS TYROSINE KINASE MODULATORS ABL1, ERBB2, LCK KDM4C 2656/4885KDR 111/4885MAPKAPK2 112/4885
US-20140100212-A1 COMPOUNDS AS TYROSINE KINASE MODULATORS ABL1, ERBB2, LCK KDM4C 2656/4885KDR 111/4885MAPKAPK2 112/4885

“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.