SCHEMBL1696293

SCHEMBL1696293

CCN1CCN(Cc2ccc(NC(=O)c3cccc(-c4ccc5nc(NC6CC6)sc5n4)c3)cc2C(F)(F)F)CC1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 9/20 0.85
RET P07949 2/20 0.85
STK10 O94804 1/20 0.85
ABL1 P00519 1/20 0.85
BRAF P15056 1/20 0.85
PDGFRA P16234 1/20 0.85
FLT1 P17948 1/20 0.85
CDK11B P21127 1/20 0.85
CDK2 P24941 1/20 0.85
FLT4 P35916 1/20 0.85
KDR P35968 1/20 0.85
FLT3 P36888 1/20 0.85
CDK7 P50613 1/20 0.85
MAPK12 P53778 1/20 0.85
CDK3 Q00526 1/20 0.85
CDK5 Q00535 1/20 0.85
TEK Q02763 1/20 0.85
DDR1 Q08345 1/20 0.85
HIPK1 Q86Z02 1/20 0.85
IRAK4 Q9NWZ3 1/20 0.71

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
SCHEMBL31060759 0.92 KIT (1.00) KITRETSTK10ABL1BRAF
SCHEMBL1696179 0.92 KIT (1.00) KITRETSTK10ABL1BRAF
SCHEMBL29381604 0.92 KIT (1.00) KITRETSTK10ABL1BRAF
SCHEMBL25639500 0.92 KIT (0.84) KITRETSTK10ABL1BRAF
SCHEMBL1696182 0.91 KIT (0.85) KITRETSTK10ABL1BRAF
SCHEMBL25639509 0.90 KIT (0.83) KITRETSTK10ABL1BRAF
SCHEMBL1696348 0.89 KIT (0.79) KITRETSTK10ABL1BRAF
SCHEMBL1705135 0.88 KIT (0.91) KITRETSTK10ABL1BRAF
SCHEMBL1696346 0.88 KIT (0.78) KITRETSTK10ABL1BRAF
SCHEMBL1696298 0.86 RET (0.76) KITRETSTK10ABL1BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9505784-B2 Fused 2-aminothiazole compounds DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-11-29 US disclosed
US-9505784-B2 Fused 2-aminothiazole compounds DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-11-29 US disclosed
US-20150094315-A1 FUSED 2-AMINOTHIAZOLE COMPOUNDS DANA-FARBER CANCER INSTITUTE, INC. (US) 2015-04-02 US disclosed
US-20150094315-A1 FUSED 2-AMINOTHIAZOLE COMPOUNDS DANA-FARBER CANCER INSTITUTE, INC. (US) 2015-04-02 US disclosed
US-8765747-B2 Fused 2-aminothiazole compounds DANA-FARBER CANCER INSTITUTE, INC. (US) 2014-07-01 US disclosed
US-8765747-B2 Fused 2-aminothiazole compounds DANA-FARBER CANCER INSTITUTE, INC. (US) 2014-07-01 US disclosed
US-20120088766-A1 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USES DANA-FARBER CANCER INSTITUTE, INC. (US) 2012-04-12 US disclosed
US-20120088766-A1 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USES DANA-FARBER CANCER INSTITUTE, INC. (US) 2012-04-12 US disclosed
WO-2010144909-A1 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2010-12-16 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 (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-20120088766-A1 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USES OAT, OTC, DLD KIT 1570/4885RET 2038/4885STK10 3863/4885
US-20150094315-A1 FUSED 2-AMINOTHIAZOLE COMPOUNDS GOT2, OAT, ABAT KIT 2999/4885RET 1896/4885STK10 3287/4885

“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.