SCHEMBL2854031

SCHEMBL2854031

CCc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Oc1ccc2nc(NC(=O)C3CC3)sc2n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 17/20 0.63
KDR P35968 13/20 0.63
KIT P10721 2/20 0.49
FLT1 P17948 2/20 0.49
STK10 O94804 1/20 0.49
ABL1 P00519 1/20 0.49
RET P07949 1/20 0.49
PDGFRA P16234 1/20 0.49
CDK11B P21127 1/20 0.49
CDK2 P24941 1/20 0.49
FLT4 P35916 1/20 0.49
FLT3 P36888 1/20 0.49
CDK7 P50613 1/20 0.49
MAPK12 P53778 1/20 0.49
CDK3 Q00526 1/20 0.49
CDK5 Q00535 1/20 0.49
TEK Q02763 1/20 0.49
DDR1 Q08345 1/20 0.49
HIPK1 Q86Z02 1/20 0.49
PDGFRB P09619 1/20 0.48

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
SCHEMBL2861349 0.91 BRAF (0.63) BRAFKDRKITFLT1PDGFRB
SCHEMBL2853166 0.91 BRAF (0.62) BRAFKDRKITFLT1STK10
SCHEMBL2855483 0.91 BRAF (0.65) BRAFKDRKITFLT1STK10
SCHEMBL2860386 0.91 BRAF (0.64) BRAFKDRKITFLT1STK10
SCHEMBL2857396 0.90 BRAF (0.52) BRAFKDRCYP2C9RAF1
SCHEMBL2853217 0.89 BRAF (0.49) BRAFKDRCYP2C9RAF1
SCHEMBL2853808 0.88 KDR (0.74) BRAFKDRKITFLT1PDGFRB
SCHEMBL2857364 0.87 BRAF (0.47) BRAFKDRCYP2C9
SCHEMBL2856107 0.86 BRAF (0.47) BRAFKDRKITFLT1STK10
SCHEMBL13185006 0.84 BRAF (0.56) BRAFKDRKITFLT1STK10

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3201100-A2 DEGRADABLE MATERIALS AND PACKAGING MADE FROM SAME Monosol, LLC (US) 2017-08-09 EP disclosed
EP-3137540-A1 STABILIZING COMPOSITIONS FOR STABILIZING MATERIALS AGAINST ULTRAVIOLET LIGHT AND THERMAL DEGRADATION Cytec Industries Inc. (US) 2017-03-08 EP disclosed
WO-2015168389-A1 STABILIZING COMPOSITIONS FOR STABILIZING MATERIALS AGAINST ULTRAVIOLET LIGHT AND THERMAL DEGRADATION CYTEC INDUSTRIES INC. (US) 2015-11-05 WO disclosed
EP-2184285-B1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-11-04 EP disclosed
EP-2184285-B1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-11-04 EP disclosed
US-8344135-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-01 US disclosed
US-8344135-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-01 US disclosed
US-8344135-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-01 US disclosed
US-20100249119-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 US disclosed
US-20100249119-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 US disclosed
US-20100249119-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 US disclosed
EP-2184285-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-05-12 EP disclosed
EP-2184285-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-05-12 EP disclosed
EP-2183316-A2 TREE RESISTANT INSULATION COMPOSITIONS General Cable Technologies Corporation (US) 2010-05-12 EP disclosed
WO-2009021050-A2 TREE RESISTANT INSULATION COMPOSITIONS GENERAL CABLE TECHNOLOGIES, CORP. (US) 2009-02-12 WO disclosed
EP-1089987-A1 BENZOCYCLE-SUBSTITUTED TRIAZINE AND PYRIMIDINE ULTRAVIOLET LIGHT ABSORBERS CYTEC TECHNOLOGY CORP. (US) 2001-04-11 EP disclosed
EP-1089985-A1 RED-SHIFTED TRISARYL-1,3,5-TRIAZINE ULTRAVIOLET LIGHT ABSORBERS CYTEC TECHNOLOGY CORP. (US) 2001-04-11 EP disclosed
WO-1999067225-A1 BENZOCYCLE-SUBSTITUTED TRIAZINE AND PYRIMIDINE ULTRAVIOLET LIGHT ABSORBERS CYTEC TECHNOLOGY CORP. (US) 1999-12-29 WO disclosed
WO-1999067224-A1 RED-SHIFTED TRISARYL-1,3,5-TRIAZINE ULTRAVIOLET LIGHT ABSORBERS CYTEC TECHNOLOGY CORP. (US) 1999-12-29 WO 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 (1 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-20100249119-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BRAF, NRAS, RAF1 BRAF 1/4885KDR 983/4885KIT 1095/4885

“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.