SCHEMBL2865573

SCHEMBL2865573

O=C(NCCCN1CCCCC1)c1ccc(F)c(NCc2cnc(Nc3ccccn3)s2)c1

nearest known ligand 0.80

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.80
PDGFRB P09619 1/20 0.56
KIT P10721 1/20 0.56
FLT1 P17948 1/20 0.56
KCNH2 Q12809 1/20 0.56
TP53 P04637 2/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SLC6A4 P31645 1/20 0.42
SMYD2 Q9NRG4 1/20 0.42
KMT2A Q03164 1/20 0.42
NAMPT P43490 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL2859303 0.99 KDR (0.81) KDRPDGFRBKITFLT1KCNH2
SCHEMBL2857449 0.97 KDR (0.80) KDRPDGFRBKITFLT1KCNH2
SCHEMBL13513608 0.95 KDR (0.87) KDRPDGFRBKITFLT1KCNH2
SCHEMBL2860327 0.95 KDR (0.88) KDRPDGFRBKITFLT1KCNH2
SCHEMBL2864999 0.93 KDR (0.91) KDRPDGFRBKITFLT1KCNH2
SCHEMBL2871071 0.93 KDR (0.78) KDRPDGFRBKITFLT1KCNH2
SCHEMBL2866764 0.89 KDR (1.00) KDRPDGFRBKITFLT1KCNH2
SCHEMBL2860852 0.87 KDR (0.79) KDRPDGFRBKITFLT1KCNH2
SCHEMBL2868359 0.86 KDR (0.78) KDRPDGFRBKITFLT1KCNH2
SCHEMBL2859854 0.86 KDR (0.80) 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 6 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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

“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.