SCHEMBL885593

SCHEMBL885593

CN(c1cnc2[nH]c(C3CC3)cc2c1)c1cc(C(=O)NC2CC2)ccc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 11/20 0.45
GRM5 P41594 2/20 0.42
ADRA2A P08913 4/20 0.40
HRH1 P35367 4/20 0.40
HTR2B P41595 4/20 0.40
ADRA1A P35348 3/20 0.40
HTR1A P08908 1/20 0.40
NPY5R Q15761 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40
RIPK1 Q13546 1/20 0.38
MAPK14 Q16539 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
GFER P55789 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 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
SCHEMBL2060043 0.84 RIPK1 (0.52) MCHR1GRM5ADRA2AHRH1HTR2B
SCHEMBL2060124 0.82 RIPK1 (0.47) MCHR1GRM5ADRA2AHRH1HTR2B
SCHEMBL2060253 0.82 RIPK1 (0.48) MCHR1GRM5RIPK1MAPK14SMN1; SMN2
SCHEMBL885700 0.82 RIPK1 (0.53) MCHR1GRM5ADRA2AHRH1HTR2B
SCHEMBL885793 0.77 RIPK1 (0.42) MCHR1GRM5RIPK1RAB9ASMN1; SMN2
SCHEMBL885592 0.77 KDR (0.48) MCHR1TAS1R3TAS1R1TAS1R2RIPK1
SCHEMBL2060136 0.77 MCHR1 (0.46) MCHR1GRM5ADRA2AHRH1HTR2B
SCHEMBL885847 0.76 RIPK1 (0.48) MCHR1GRM5RIPK1SMN1; SMN2SMYD3
SCHEMBL885585 0.72 RIPK1 (0.45) MCHR1ADRA2ARIPK1
SCHEMBL2060036 0.69 GRM5 (0.49) MCHR1GRM5ADRA2AHRH1HTR2B

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 MCHR1 1197/4885GRM5 2155/4885ADRA2A 3276/4885

“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.