SCHEMBL2878629

SCHEMBL2878629

O=C(NC1CC1)c1ccc(F)c(NCc2cnc(Nc3ccccc3[N+](=O)[O-])s2)c1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.71
PDGFRB P09619 1/20 0.55
KIT P10721 1/20 0.55
FLT1 P17948 1/20 0.55
KCNH2 Q12809 1/20 0.55
MAPK14 Q16539 4/20 0.41
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
TTK P33981 1/20 0.38
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL2855519 0.86 KDR (0.75) KDRPDGFRBKITFLT1KCNH2
SCHEMBL2863745 0.84 KDR (0.82) KDRPDGFRBKITFLT1KCNH2
SCHEMBL2864026 0.83 KDR (1.00) KDRPDGFRBKITFLT1KCNH2
SCHEMBL2862378 0.81 KDR (0.74) KDRPDGFRBKITFLT1KCNH2
SCHEMBL2864011 0.80 KDR (0.76) KDRPDGFRBKITFLT1KCNH2
SCHEMBL2868067 0.80 KDR (1.00) KDRPDGFRBKITFLT1KCNH2
SCHEMBL2864825 0.80 KDR (0.97) KDRPDGFRBKITFLT1KCNH2
SCHEMBL3910747 0.80 KDR (0.78) KDRPDGFRBKITFLT1KCNH2
SCHEMBL2858961 0.79 KDR (0.77) KDRPDGFRBKITFLT1KCNH2
SCHEMBL2855449 0.79 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 4 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-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.