SCHEMBL10352014

SCHEMBL10352014

COCCOc1ccc(C(F)(F)F)cc1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.56
HTT P42858 3/20 0.56
KMT2A Q03164 3/20 0.56
L3MBTL1 Q9Y468 4/20 0.55
RAB9A P51151 1/20 0.55
MAPT P10636 4/20 0.55
ATM Q13315 2/20 0.55
LMNA P02545 1/20 0.55
ALDH1A1 P00352 5/20 0.52
HPGD P15428 2/20 0.52
HSD17B10 Q99714 2/20 0.52
NPSR1 Q6W5P4 1/20 0.51
MEN1 O00255 2/20 0.46
POLB P06746 2/20 0.46
PKM P14618 1/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CFTR P13569 1/20 0.45
USP2 O75604 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL10185068 0.87 KDM4E (0.52) KDM4EHTTKMT2AL3MBTL1RAB9A
SCHEMBL31053853 0.87 KDM4E (0.52) KDM4EHTTKMT2AL3MBTL1RAB9A
SCHEMBL10352193 0.85 L3MBTL1 (0.60) KDM4EHTTKMT2AL3MBTL1RAB9A
SCHEMBL10352546 0.84 L3MBTL1 (0.59) KDM4EHTTKMT2AL3MBTL1RAB9A
SCHEMBL10352025 0.84 L3MBTL1 (0.62) KDM4EHTTKMT2AL3MBTL1RAB9A
SCHEMBL14453572 0.83 KDM4E (0.58) KDM4EHTTKMT2AL3MBTL1MAPT
SCHEMBL10352659 0.83 L3MBTL1 (0.57) KDM4EHTTKMT2AL3MBTL1RAB9A
SCHEMBL19174974 0.82 L3MBTL1 (0.52) KDM4EHTTKMT2AL3MBTL1RAB9A
SCHEMBL2241258 0.81 L3MBTL1 (0.72) KDM4EKMT2AL3MBTL1RAB9AMAPT
SCHEMBL10352503 0.81 L3MBTL1 (0.56) KDM4EHTTKMT2AL3MBTL1RAB9A

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-9790210-B2 N-(monocyclic aryl),N'-pyrazolyl-urea, thiourea, guanidine and cyanoguanidine compounds as TrkA kinase inhibitors ARRAY BIOPHARMA INC. (US) 2017-10-17 US disclosed
US-9790210-B2 N-(monocyclic aryl),N'-pyrazolyl-urea, thiourea, guanidine and cyanoguanidine compounds as TrkA kinase inhibitors ARRAY BIOPHARMA INC. (US) 2017-10-17 US disclosed
US-9790210-B2 N-(monocyclic aryl),N'-pyrazolyl-urea, thiourea, guanidine and cyanoguanidine compounds as TrkA kinase inhibitors ARRAY BIOPHARMA INC. (US) 2017-10-17 US disclosed
US-20160280692-A1 N-(MONOCYCLIC ARYL),N'-PYRAZOLYL-UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-09-29 US disclosed
US-20160280692-A1 N-(MONOCYCLIC ARYL),N'-PYRAZOLYL-UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-09-29 US disclosed
US-20160280692-A1 N-(MONOCYCLIC ARYL),N'-PYRAZOLYL-UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-09-29 US disclosed
WO-2014078325-A1 N-(MONOCYCLIC ARYL),N'-PYRAZOLYL-UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2014-05-22 WO disclosed
US-20090253688-A1 Semicarbazide derivatives as kinase inhibitors MERCK PATENT GMBH (DE) 2009-10-08 US disclosed
US-20070161677-A1 Bisarylurea derivatives MERCK PATENT GMBH (DE) 2007-07-12 US disclosed
US-20070161677-A1 Bisarylurea derivatives MERCK PATENT GMBH (DE) 2007-07-12 US disclosed
EP-0300390-B1 TRIFLUOROMETHYL-ALKOXY-ANILIN, PROCESS FOR THEIR PREPARATION AND THEIR USE IN THE ICE-COLOUR TECHNIQUE HOECHST AKTIENGESELLSCHAFT (DE) 1990-08-29 EP 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 (3 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-20070161677-A1 Bisarylurea derivatives BRAF, RAF1, NRAS KDM4E 2459/4885HTT 3494/4885KMT2A 1891/4885
US-20160280692-A1 N-(MONOCYCLIC ARYL),N'-PYRAZOLYL-UREA, THIOUREA, GUANIDINE AND CYANOGUANIDINE COMPOUNDS AS TRKA KINASE INHIBITORS TK1, UACA, TNNI3K KDM4E 1801/4885HTT 1269/4885KMT2A 3547/4885
US-20090253688-A1 Semicarbazide derivatives as kinase inhibitors MAP3K1, MAP3K6, MAP3K2 KDM4E 1349/4885HTT 3592/4885KMT2A 912/4885

“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.