SCHEMBL2060020

SCHEMBL2060020

Nc1ncc(CNc2cc(C(=O)NC3CC3)ccc2F)cc1C#Cc1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.47
SMYD3 Q9H7B4 4/20 0.40
VNN1 O95497 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
GRM5 P41594 2/20 0.39
KCNH2 Q12809 1/20 0.38
PDGFRB P09619 1/20 0.38
DRD4 P21917 1/20 0.38
KIT P10721 3/20 0.37
MAPK14 Q16539 2/20 0.37
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
CCNT1 O60563 1/20 0.37
DDR1 Q08345 1/20 0.36
PTGDR2 Q9Y5Y4 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
SCHEMBL2060039 0.86 KDR (0.55) KDRSMYD3HDAC1HDAC8HDAC6
SCHEMBL2060016 0.80 GRM5 (0.41) KDRSMYD3GRM5KCNH2PDGFRB
SCHEMBL2060138 0.79 KDR (0.51) KDRSMYD3HDAC1HDAC8HDAC6
SCHEMBL885701 0.75 RIPK1 (0.52) KDRSMYD3VNN1HDAC1HDAC8
SCHEMBL2862378 0.70 KDR (0.74) KDRSMYD3HDAC1HDAC8HDAC6
SCHEMBL885592 0.69 KDR (0.48) KDRSMYD3HDAC1HDAC8HDAC6
SCHEMBL2060044 0.69 RIPK1 (0.51) KDRSMYD3HDAC1HDAC8HDAC6
SCHEMBL2060127 0.69 KDR (0.54) KDRHDAC1HDAC8HDAC6GRM5
SCHEMBL10082850 0.68 KDR (0.53) KDRSMYD3HDAC1HDAC8HDAC6
SCHEMBL2863745 0.66 KDR (0.82) KDRHDAC1HDAC8HDAC6KCNH2

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 5/4885SMYD3 4812/4885VNN1 4508/4885

“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.