SCHEMBL2060136

SCHEMBL2060136

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.46
AR P10275 3/20 0.43
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
TAS1R2 Q8TE23 1/20 0.43
FYN P06241 1/20 0.42
GRM5 P41594 1/20 0.42
BMPR1B O00238 1/20 0.41
BMPR1A P36894 1/20 0.41
TGFBR1 P36897 1/20 0.41
ACVRL1 P37023 1/20 0.41
ACVR1 Q04771 1/20 0.41
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
DPP4 P27487 3/20 0.41
KCNH2 Q12809 3/20 0.41
DPP7 Q9UHL4 3/20 0.41
MAPK14 Q16539 2/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 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
SCHEMBL2060036 0.79 GRM5 (0.49) MCHR1ARGRM5HTR1AADRA2A
SCHEMBL2060016 0.79 GRM5 (0.41) MCHR1GRM5KCNH2MAPK14
SCHEMBL885593 0.77 MCHR1 (0.45) MCHR1TAS1R3TAS1R1TAS1R2GRM5
SCHEMBL2060138 0.75 KDR (0.51) MCHR1ARTAS1R3TAS1R1TAS1R2
SCHEMBL2060043 0.74 RIPK1 (0.52) MCHR1GRM5HTR1AADRA2AADRA1A
SCHEMBL2060124 0.72 RIPK1 (0.47) MCHR1ARGRM5MAPK14HTR1A
SCHEMBL885700 0.72 RIPK1 (0.53) MCHR1GRM5MAPK14HTR1AADRA2A
SCHEMBL2060253 0.72 RIPK1 (0.48) MCHR1GRM5MAPK14
SCHEMBL2864006 0.72 TAS1R3 (0.57) MCHR1ARTAS1R3TAS1R1TAS1R2
SCHEMBL21061894 0.70 HPGDS (0.61)

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 MCHR1 1197/4885AR 1724/4885TAS1R3 486/4885

“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.