SCHEMBL2859004

SCHEMBL2859004

C#CCNC(=O)c1ccc(F)c(NCc2cnc(Nc3ccccn3)s2)c1

nearest known ligand 0.79

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.79
PDGFRB P09619 1/20 0.57
KIT P10721 1/20 0.57
FLT1 P17948 1/20 0.57
KCNH2 Q12809 1/20 0.57
NTRK1 P04629 3/20 0.50
LCK P06239 2/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 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
SCHEMBL2864383 0.91 KDR (0.79) KDRPDGFRBKITFLT1KCNH2
SCHEMBL13513662 0.90 KDR (0.83) KDRPDGFRBKITFLT1KCNH2
SCHEMBL2861519 0.89 KDR (1.00) KDRPDGFRBKITFLT1KCNH2
SCHEMBL2855384 0.88 KDR (1.00) KDRPDGFRBKITFLT1KCNH2
SCHEMBL2865724 0.88 KDR (0.82) KDRPDGFRBKITFLT1KCNH2
SCHEMBL2858877 0.88 KDR (1.00) KDRPDGFRBKITFLT1KCNH2
SCHEMBL2859597 0.88 KDR (0.82) KDRPDGFRBKITFLT1KCNH2
SCHEMBL2862379 0.87 KDR (0.78) KDRPDGFRBKITFLT1KCNH2
SCHEMBL2862525 0.86 KDR (0.77) KDRPDGFRBKITFLT1KCNH2
SCHEMBL2860852 0.86 KDR (0.79) 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 13 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
US-20060135576-A1 Heterocyclic inhibitors of kinases BORZILLERI ROBERT M 2006-06-22 US claimed
US-20040077696-A1 Heterocyclic inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY 2004-04-22 US 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.