SCHEMBL2060036

SCHEMBL2060036

CN(c1cnc(N)c(C#Cc2ccccn2)c1)c1cc(C(=O)NC2CC2)ccc1F

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.49
KDR P35968 3/20 0.41
TTK P33981 2/20 0.41
MCHR1 Q99705 6/20 0.39
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA1A P35348 1/20 0.38
HRH1 P35367 1/20 0.38
HTR2B P41595 1/20 0.38
NPY5R Q15761 1/20 0.38
AR P10275 2/20 0.38
SMYD3 Q9H7B4 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
SCHEMBL2060016 0.86 GRM5 (0.41) GRM5KDRMCHR1SMYD3
SCHEMBL2060039 0.79 KDR (0.55) GRM5KDRTTKARSMYD3
SCHEMBL2060136 0.79 MCHR1 (0.46) GRM5MCHR1HTR1AADRA2AADRA1A
SCHEMBL2060124 0.74 RIPK1 (0.47) GRM5KDRMCHR1HTR1AADRA2A
SCHEMBL2060043 0.71 RIPK1 (0.52) GRM5MCHR1HTR1AADRA2AADRA1A
SCHEMBL885593 0.69 MCHR1 (0.45) GRM5MCHR1HTR1AADRA2AADRA1A
SCHEMBL885700 0.68 RIPK1 (0.53) GRM5MCHR1HTR1AADRA2AADRA1A
SCHEMBL885847 0.68 RIPK1 (0.48) GRM5MCHR1SMYD3
SCHEMBL25678076 0.66 GRM5 (0.58) GRM5KDR
SCHEMBL2060020 0.66 KDR (0.47) GRM5KDRSMYD3

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 GRM5 2155/4885KDR 5/4885TTK 490/4885

“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.