SCHEMBL2857449

SCHEMBL2857449

O=C(NCCCCN1CCCC1)c1ccc(F)c(NCc2cnc(Nc3ccccn3)s2)c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.80
KCNH2 Q12809 2/20 0.56
PDGFRB P09619 1/20 0.56
KIT P10721 1/20 0.56
FLT1 P17948 1/20 0.56
ADRA1A P35348 2/20 0.41
DRD3 P35462 2/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
ADRA1D P25100 1/20 0.41
HTR2A P28223 1/20 0.41
HRH1 P35367 1/20 0.41
ADRA1B P35368 1/20 0.41
SLC6A4 P31645 1/20 0.41
SMYD2 Q9NRG4 1/20 0.41
DRD2 P14416 1/20 0.41
KMT2A Q03164 1/20 0.40
TP53 P04637 1/20 0.40

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 0.98 KDR (0.81) KDRKCNH2PDGFRBKITFLT1
SCHEMBL2865573 0.97 KDR (0.80) KDRKCNH2PDGFRBKITFLT1
SCHEMBL2860327 0.95 KDR (0.88) KDRKCNH2PDGFRBKITFLT1
SCHEMBL13513608 0.94 KDR (0.87) KDRKCNH2PDGFRBKITFLT1
SCHEMBL2871071 0.92 KDR (0.78) KDRKCNH2PDGFRBKITFLT1
SCHEMBL2864999 0.92 KDR (0.91) KDRKCNH2PDGFRBKITFLT1
SCHEMBL2866764 0.89 KDR (1.00) KDRKCNH2PDGFRBKITFLT1
SCHEMBL2868359 0.88 KDR (0.78) KDRKCNH2PDGFRBKITFLT1
SCHEMBL2860852 0.87 KDR (0.79) KDRKCNH2PDGFRBKITFLT1
SCHEMBL2859597 0.85 KDR (0.82) KDRKCNH2PDGFRBKITFLT1

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 5 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-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 7/4885KCNH2 2927/4885PDGFRB 27/4885

“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.