SCHEMBL2060043

SCHEMBL2060043

CN(c1cnc2[nH]c(-c3ccccc3)cc2c1)c1cc(C(=O)NC2CC2)ccc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.52
MCHR1 Q99705 8/20 0.44
ADRA2A P08913 2/20 0.44
HTR1A P08908 1/20 0.44
ADRA1A P35348 1/20 0.44
HRH1 P35367 1/20 0.44
HTR2B P41595 1/20 0.44
NPY5R Q15761 1/20 0.44
KIT P10721 4/20 0.44
GRM5 P41594 1/20 0.42
TACR1 P25103 1/20 0.41
ULK1 O75385 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
BRAF P15056 1/20 0.40
DCK P27707 1/20 0.40
SMYD3 Q9H7B4 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
SCHEMBL885700 0.91 RIPK1 (0.53) RIPK1MCHR1ADRA2AHTR1AADRA1A
SCHEMBL2060253 0.90 RIPK1 (0.48) RIPK1MCHR1GRM5ULK1SMN1; SMN2
SCHEMBL2060124 0.89 RIPK1 (0.47) RIPK1MCHR1ADRA2AHTR1AADRA1A
SCHEMBL885585 0.88 RIPK1 (0.45) RIPK1MCHR1ADRA2AKITULK1
SCHEMBL885793 0.86 RIPK1 (0.42) RIPK1MCHR1GRM5ULK1RAB9A
SCHEMBL885847 0.86 RIPK1 (0.48) RIPK1MCHR1KITGRM5ULK1
SCHEMBL885593 0.84 MCHR1 (0.45) RIPK1MCHR1ADRA2AHTR1AADRA1A
SCHEMBL885846 0.79 KDR (0.41) RIPK1MCHR1GRM5SMN1; SMN2DCK
SCHEMBL2060044 0.78 RIPK1 (0.51) RIPK1MCHR1KITULK1MEN1
SCHEMBL885866 0.78 RIPK1 (0.51) RIPK1MCHR1KITULK1MEN1

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 10 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-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 850/4885MCHR1 1197/4885ADRA2A 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.