SCHEMBL2861065

SCHEMBL2861065

Cc1ccnc(Nc2ncc(CNc3cc(C(=O)NC4CC4)c(F)cc3F)s2)c1

nearest known ligand 0.79

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.79
PDGFRB P09619 1/20 0.79
KIT P10721 1/20 0.79
FLT1 P17948 1/20 0.79
KCNH2 Q12809 1/20 0.79
LCK P06239 1/20 0.39
IRAK4 Q9NWZ3 2/20 0.37
CRHR1 P34998 1/20 0.37
WDR5 P61964 1/20 0.37
ITGB3 P05106 1/20 0.36
ITGB1 P05556 1/20 0.36
ITGAV P06756 1/20 0.36
ITGA2B P08514 1/20 0.36
ITGA5 P08648 1/20 0.36
ITGB5 P18084 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
RIPK2 O43353 1/20 0.36

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
SCHEMBL2861987 0.88 KDR (1.00) KDRPDGFRBKITFLT1KCNH2
SCHEMBL2862543 0.84 KDR (0.77) KDRPDGFRBKITFLT1KCNH2
SCHEMBL2855759 0.83 KDR (0.76) KDRPDGFRBKITFLT1KCNH2
SCHEMBL2855411 0.82 KDR (0.77) KDRPDGFRBKITFLT1KCNH2
SCHEMBL2875515 0.82 KDR (0.77) KDRPDGFRBKITFLT1KCNH2
SCHEMBL2860226 0.82 KDR (0.76) KDRPDGFRBKITFLT1KCNH2
SCHEMBL2859282 0.82 KDR (0.79) KDRPDGFRBKITFLT1KCNH2
SCHEMBL2862557 0.81 KDR (0.75) KDRPDGFRBKITFLT1KCNH2
SCHEMBL2881203 0.81 KDR (0.69) KDRPDGFRBKITFLT1KCNH2
SCHEMBL2859425 0.80 KDR (0.71) KDRPDGFRBKITFLT1KCNH2

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

“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.