SCHEMBL2859282

SCHEMBL2859282

O=C(NC1CC1)c1cc(NCc2cnc(Nc3ccc(-c4ccccc4)cn3)s2)c(F)cc1F

nearest known ligand 0.79

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 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
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
GABRA5 P31644 4/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MAP4K4 O95819 1/20 0.37
DGAT1 O75907 2/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 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
SCHEMBL2862557 0.93 KDR (0.75) KDRPDGFRBKITFLT1KCNH2
SCHEMBL2863021 0.91 KDR (0.70) KDRPDGFRBKITFLT1KCNH2
SCHEMBL2855759 0.88 KDR (0.76) KDRPDGFRBKITFLT1KCNH2
SCHEMBL2861987 0.88 KDR (1.00) KDRPDGFRBKITFLT1KCNH2
SCHEMBL2862543 0.87 KDR (0.77) KDRPDGFRBKITFLT1KCNH2
SCHEMBL2860226 0.85 KDR (0.76) KDRPDGFRBKITFLT1KCNH2
SCHEMBL2875515 0.84 KDR (0.77) KDRPDGFRBKITFLT1KCNH2
SCHEMBL2864115 0.84 KDR (0.71) KDRPDGFRBKITFLT1KCNH2
SCHEMBL2859425 0.84 KDR (0.71) KDRPDGFRBKITFLT1KCNH2
SCHEMBL2855411 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 8 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
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
US-20040077696-A1 Heterocyclic inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY 2004-04-22 US 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.