SCHEMBL2060039

SCHEMBL2060039

Nc1ncc(CNc2cc(C(=O)NC3CC3)ccc2F)cc1C#Cc1ccccn1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.55
GRM5 P41594 5/20 0.48
PDGFRB P09619 1/20 0.42
KIT P10721 1/20 0.42
FLT1 P17948 1/20 0.42
KCNH2 Q12809 1/20 0.42
TTK P33981 2/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
SMYD3 Q9H7B4 2/20 0.38
AR P10275 1/20 0.37
MAPK14 Q16539 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
SCHEMBL2060020 0.86 KDR (0.47) KDRGRM5PDGFRBKITKCNH2
SCHEMBL2060138 0.80 KDR (0.51) KDRHDAC1HDAC8HDAC6SMYD3
SCHEMBL2060036 0.79 GRM5 (0.49) KDRGRM5TTKSMYD3AR
SCHEMBL2060127 0.74 KDR (0.54) KDRGRM5PDGFRBKITFLT1
SCHEMBL10082850 0.74 KDR (0.53) KDRGRM5PDGFRBKITFLT1
SCHEMBL2060044 0.71 RIPK1 (0.51) KDRKITTTKHDAC1HDAC8
SCHEMBL2864026 0.71 KDR (1.00) KDRGRM5PDGFRBKITFLT1
SCHEMBL2863745 0.70 KDR (0.82) KDRPDGFRBKITFLT1KCNH2
SCHEMBL885592 0.70 KDR (0.48) KDRHDAC1HDAC8HDAC6SMYD3
SCHEMBL2855519 0.69 KDR (0.75) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2081928-B1 Pyrrolo-pyridine kinase inhibitors BRISTOL MYERS SQUIBB CO (US) 2014-02-26 EP disclosed
CN-101600714-B Novel pyrindole kinase inhibitors BRISTOL MYERS SQUIBB CO 2013-08-21 CN disclosed
US-8148361-B2 Kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-03 US disclosed
US-20100041636-A1 NOVEL KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-18 US disclosed
CN-101600714-A Novel kinase inhibitors BRISTOL MYERS SQUIBB CO (US) 2009-12-09 CN disclosed
EP-2081928-A2 PYRROLO-PYRIDINE KINASE INHIBITORS Brystol-Myers Squibb Company (US) 2009-07-29 EP disclosed
WO-2008060907-A2 PYRROLO-PYRIDINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-22 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 (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-20100041636-A1 NOVEL KINASE INHIBITORS IGF1R, FGFR1, FLT1 KDR 5/4885GRM5 2155/4885PDGFRB 33/4885

“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.