SCHEMBL2861503

SCHEMBL2861503

CN1CCN(c2cccc(Nc3ncc(CNc4cc(C(=O)NC5CC5)c(F)cc4F)s3)n2)CC1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.69
KIT P10721 2/20 0.69
PDGFRB P09619 1/20 0.69
FLT1 P17948 1/20 0.69
KCNH2 Q12809 1/20 0.69
TYK2 P29597 3/20 0.42
CYP3A4 P08684 1/20 0.41
CCNT1 O60563 1/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CDK7 P50613 1/20 0.37
CDK9 P50750 1/20 0.37
CCNH P51946 1/20 0.37
BRD4 O60885 1/20 0.37
HSD17B14 Q9BPX1 1/20 0.37
FLT3 P36888 1/20 0.37
PTK2 Q05397 2/20 0.37

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
SCHEMBL2855411 0.84 KDR (0.77) KDRKITPDGFRBFLT1KCNH2
SCHEMBL2875515 0.84 KDR (0.77) KDRKITPDGFRBFLT1KCNH2
SCHEMBL2859629 0.82 KDR (0.67) KDRKITPDGFRBFLT1KCNH2
SCHEMBL2861987 0.82 KDR (1.00) KDRKITPDGFRBFLT1KCNH2
SCHEMBL13513609 0.82 KDR (0.73) KDRKITPDGFRBFLT1KCNH2
SCHEMBL2860226 0.81 KDR (0.76) KDRKITPDGFRBFLT1KCNH2
SCHEMBL2864131 0.81 KDR (0.73) KDRKITPDGFRBFLT1KCNH2
SCHEMBL2861065 0.79 KDR (0.79) KDRKITPDGFRBFLT1KCNH2
SCHEMBL2862543 0.78 KDR (0.77) KDRKITPDGFRBFLT1KCNH2
SCHEMBL2859282 0.78 KDR (0.79) KDRKITPDGFRBFLT1KCNH2

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
EP-1513818-B1 HETEROCYCLIC INHIBITORS OF VEGFR-2 KINASES BRISTOL MYERS SQUIBB CO (US) 2010-01-20 EP disclosed
EP-1513818-B1 HETEROCYCLIC INHIBITORS OF VEGFR-2 KINASES BRISTOL MYERS SQUIBB CO (US) 2010-01-20 EP disclosed
US-7547711-B2 Heterocyclic inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-16 US disclosed
US-7547711-B2 Heterocyclic inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-16 US disclosed
US-7547711-B2 Heterocyclic inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-16 US disclosed
EP-1513818-A4 HETEROCYCLIC INHIBITORS OF KINASES BRISTOL MYERS SQUIBB CO (US) 2006-10-04 EP disclosed
US-7084160-B2 Heterocyclic inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY (US) 2006-08-01 US disclosed
US-20060135576-A1 Heterocyclic inhibitors of kinases BORZILLERI ROBERT M 2006-06-22 US disclosed
EP-1513818-A2 HETEROCYCLIC INHIBITORS OF KINASES Bristol-Myers Squibb Company (US) 2005-03-16 EP disclosed
US-20040077696-A1 Heterocyclic inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY 2004-04-22 US disclosed
WO-2004001059-A2 HETEROCYCLIC INHIBITORS OF KINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-31 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-20060135576-A1 Heterocyclic inhibitors of kinases FGFR1, FLT1, FGFR2 KDR 7/4885KIT 167/4885PDGFRB 27/4885
US-20040077696-A1 Heterocyclic inhibitors of kinases FGFR1, FLT1, FGFR2 KDR 6/4885KIT 136/4885PDGFRB 27/4885

“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.