SCHEMBL885700

SCHEMBL885700

CN(c1cnc2[nH]c(-c3cccnc3)cc2c1)c1cc(C(=O)NC2CC2)ccc1F

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.53
MAPK14 Q16539 2/20 0.42
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
GRM5 P41594 2/20 0.42
MCHR1 Q99705 6/20 0.41
GABRA5 P31644 1/20 0.40
WNT1 P04628 2/20 0.40
DYRK1A Q13627 2/20 0.40
KIT P10721 1/20 0.40
RIPK2 O43353 2/20 0.39
SMYD3 Q9H7B4 1/20 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

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
SCHEMBL2060043 0.91 RIPK1 (0.52) RIPK1GRM5MCHR1KITSMYD3
SCHEMBL2060124 0.86 RIPK1 (0.47) RIPK1MAPK14MAPK11GRM5MCHR1
SCHEMBL2060253 0.85 RIPK1 (0.48) RIPK1MAPK14MAPK11GRM5MCHR1
SCHEMBL885793 0.84 RIPK1 (0.42) RIPK1GRM5MCHR1GABRA5
SCHEMBL885847 0.82 RIPK1 (0.48) RIPK1GRM5MCHR1KITSMYD3
SCHEMBL885593 0.82 MCHR1 (0.45) RIPK1MAPK14MAPK11GRM5MCHR1
SCHEMBL885585 0.79 RIPK1 (0.45) RIPK1MCHR1KITRIPK2ADRA2A
SCHEMBL885701 0.79 RIPK1 (0.52) RIPK1MAPK14MAPK13MAPK12MAPK11
SCHEMBL885846 0.75 KDR (0.41) RIPK1MAPK14MAPK11GRM5MCHR1
SCHEMBL2060016 0.74 GRM5 (0.41) MAPK14GRM5MCHR1KITRIPK2

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 12 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 claimed
CN-101600714-B Novel pyrindole kinase inhibitors BRISTOL MYERS SQUIBB CO 2013-08-21 CN claimed
US-8148361-B2 Kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-03 US claimed
US-20100041636-A1 NOVEL KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-18 US claimed
CN-101600714-A Novel kinase inhibitors BRISTOL MYERS SQUIBB CO (US) 2009-12-09 CN claimed
EP-2081928-A2 PYRROLO-PYRIDINE KINASE INHIBITORS Brystol-Myers Squibb Company (US) 2009-07-29 EP claimed
WO-2008060907-A2 PYRROLO-PYRIDINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-22 WO claimed
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

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 RIPK1 850/4885MAPK14 229/4885MAPK13 218/4885

“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.