SCHEMBL283213

SCHEMBL283213

O=C(COc1ccc(OC(F)(F)F)cc1)NCc1nc(C(=O)NCCc2cccc(Cl)c2)cs1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.58
IGF1R P08069 1/20 0.47
CSNK1D P48730 1/20 0.44
HIF1A Q16665 1/20 0.43
TP53 P04637 4/20 0.42
THRB P10828 1/20 0.42
GAA P10253 1/20 0.42
ALOX12 P18054 1/20 0.42
HTT P42858 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CNR1 P21554 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.40
IDO1 P14902 1/20 0.40
SGMS1 Q86VZ5 1/20 0.40

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
SCHEMBL2173603 0.91 SGMS1 (0.49) TRPV1IGF1RHIF1ATP53THRB
SCHEMBL19882503 0.90 TRPV1 (0.46) TRPV1IGF1RHIF1ATP53THRB
SCHEMBL12407097 0.90 TRPV1 (0.45) TRPV1IGF1RHIF1ATP53GAA
SCHEMBL4397597 0.90 TRPV1 (0.45) TRPV1HIF1ANPC1RAB9ASMN1; SMN2
SCHEMBL5668546 0.90 IGF1R (0.49) TRPV1IGF1RHIF1ATP53THRB
SCHEMBL4396904 0.90 MAPT (0.48) TRPV1TP53THRBGAAHTT
SCHEMBL10126403 0.89 IGF1R (0.52) TRPV1IGF1RHIF1ATP53THRB
SCHEMBL4385586 0.89 IGF1R (0.48) TRPV1IGF1RHIF1ATP53THRB
SCHEMBL5668870 0.89 IGF1R (0.51) TRPV1IGF1RHIF1ATP53GAA
SCHEMBL4387708 0.89 TRPV1 (0.44) TRPV1IGF1RHIF1ATP53GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9932589-B2 EML4-ALK fusion gene ASTELLAS PHARMA INC. (JP) 2018-04-03 US disclosed
US-20180066266-A1 EML4-ALK FUSION GENE ASTELLAS PHARMA INC. (JP) 2018-03-08 US disclosed
EP-3009428-B1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC (JP) 2018-02-21 EP disclosed
US-9487491-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2016-11-08 US disclosed
US-9487491-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2016-11-08 US disclosed
EP-2428508-B9 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC (JP) 2016-04-20 EP disclosed
EP-3009428-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND Astellas Pharma Inc. (JP) 2016-04-20 EP disclosed
EP-2428508-B1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC (JP) 2015-12-16 EP disclosed
US-20150184161-A1 EML4-ALK FUSION GENE ASTELLAS PHARMA INC. (JP) 2015-07-02 US disclosed
US-9029521-B2 EML4-ALK fusion gene ASTELLAS PHARMA INC. (JP) 2015-05-12 US disclosed
US-20100099658-A1 DI(ARYLAMINO)ARYL COMPOUND ASTELLAS PHARMA INC. (JP) 2010-04-22 US disclosed
EP-2172461-A1 DI(ARYLAMINO)ARYL COMPOUND Astellas Pharma Inc. (JP) 2010-04-07 EP disclosed
EP-1914240-B1 EML4-ALK fusion gene ASTELLAS PHARMA INC (JP) 2009-12-02 EP disclosed
EP-2116553-A1 EML4-ALK fusion gene Astellas Pharma Inc. (JP) 2009-11-11 EP disclosed
US-7605131-B2 EML4-ALK fusion gene ASTELLAS PHARMA INC. (JP) 2009-10-20 US disclosed
US-20090186905-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2009-07-23 US disclosed
US-20090186905-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2009-07-23 US disclosed
US-20090099193-A1 EML4-ALK FUSION GENE ASTELLAS PHARMA INC. (JP) 2009-04-16 US disclosed
EP-1914240-A1 EML4-ALK fusion gene Astellas Pharma Inc. (JP) 2008-04-23 EP disclosed
US-20080090776-A1 EML4-ALK FUSION GENE ASTELLAS PHARMA INC. (JP) 2008-04-17 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 (2 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-20100099658-A1 DI(ARYLAMINO)ARYL COMPOUND ERBB4, EGFR, ALK TRPV1 2373/4885IGF1R 47/4885CSNK1D 2411/4885
US-20090186905-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE ALK, BCL3, MCL1 TRPV1 3477/4885IGF1R 367/4885CSNK1D 632/4885

“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.