SCHEMBL2859629

SCHEMBL2859629

CN1CCN(C(=O)c2ccc(Nc3ncc(CNc4cc(C(=O)NC5CC5)c(F)cc4F)s3)nc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.67
PDGFRB P09619 1/20 0.67
KIT P10721 1/20 0.67
FLT1 P17948 1/20 0.67
KCNH2 Q12809 1/20 0.67
RIPK2 O43353 1/20 0.43
BMPR1B O00238 2/20 0.42
BMPR1A P36894 2/20 0.42
ACVRL1 P37023 2/20 0.42
ACVR1 Q04771 2/20 0.42
TGFBR1 P36897 1/20 0.41
CDK6 Q00534 2/20 0.40
BDKRB1 P46663 1/20 0.40
FASN P49327 2/20 0.40
JAK3 P52333 1/20 0.40
DYRK2 Q92630 2/20 0.39

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
SCHEMBL2860341 0.91 KDR (0.67) KDRPDGFRBKITFLT1KCNH2
SCHEMBL2865633 0.88 KDR (0.65) KDRPDGFRBKITFLT1KCNH2
SCHEMBL2855759 0.87 KDR (0.76) KDRPDGFRBKITFLT1KCNH2
SCHEMBL2881203 0.84 KDR (0.69) KDRPDGFRBKITFLT1KCNH2
SCHEMBL2864115 0.84 KDR (0.71) KDRPDGFRBKITFLT1KCNH2
SCHEMBL2859425 0.84 KDR (0.71) KDRPDGFRBKITFLT1KCNH2
SCHEMBL2864135 0.83 KDR (0.68) KDRPDGFRBKITFLT1KCNH2
SCHEMBL3913172 0.83 KDR (0.68) KDRPDGFRBKITFLT1KCNH2
SCHEMBL2862369 0.83 KDR (0.68) KDRPDGFRBKITFLT1KCNH2
SCHEMBL2862543 0.83 KDR (0.77) 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 14 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
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.