SCHEMBL2995292

SCHEMBL2995292

Nc1nccc(-c2c[nH]c3nccc(OCC4CCNCC4)c23)n1.Nc1nccc(-c2c[nH]c3nccc(OCc4cncnc4)c23)n1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 13/20 0.60
CDC42BPB Q9Y5S2 13/20 0.60
ROCK2 O75116 12/20 0.60
CDC42BPA Q5VT25 3/20 0.60
CCNT1 O60563 7/20 0.54
CDK9 P50750 7/20 0.54
CDK5 Q00535 7/20 0.54
CDK5R1 Q15078 7/20 0.54
CCNA2 P20248 6/20 0.54
CDK2 P24941 6/20 0.54
CCNA1 P78396 6/20 0.54

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
SCHEMBL2986128 0.90 CCNT1 (0.65) ROCK1CDC42BPBROCK2CDC42BPACCNT1
SCHEMBL2994705 0.88 CCNT1 (0.68) ROCK1CDC42BPBROCK2CDC42BPACCNT1
SCHEMBL2989444 0.81 CCNT1 (0.67) ROCK1CDC42BPBROCK2CDC42BPACCNT1
SCHEMBL24672184 0.81 ROCK1 (0.88) ROCK1CDC42BPBROCK2CDC42BPA
SCHEMBL29869691 0.81 ROCK1 (0.88) ROCK1CDC42BPBROCK2CDC42BPA
SCHEMBL2991126 0.79 CDK5 (0.67) CCNT1CDK9CDK5CDK5R1CCNA2
SCHEMBL2994139 0.78 CDK5 (0.71) CCNT1CDK9CDK5CDK5R1CCNA2
SCHEMBL30093657 0.76 ROCK1 (0.64) ROCK1CDC42BPBROCK2CDC42BPACCNT1
SCHEMBL2990059 0.76 CDK5 (0.71) CCNT1CDK9CDK5CDK5R1CCNA2
SCHEMBL24672988 0.76 ROCK2 (1.00) ROCK1CDC42BPBROCK2CDC42BPA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100184790-A1 PYRROLO[2,3-B]PYRIDINE COMPOUNDS, AZAINDOLE COMPOUNDS USED FOR SYNTHESIZING SAID PYRROLO[2,3-B]PYRIDINE COMPOUNDS, METHODS FOR THE PRODUCTION THEREOF, AND USES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2010-07-22 US 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-20100184790-A1 PYRROLO[2,3-B]PYRIDINE COMPOUNDS, AZAINDOLE COMPOUNDS USED FOR SYNTHESIZING SAID PYRROLO[2,3-B]PYRIDINE COMPOUNDS, METHODS FOR THE PRODUCTION THEREOF, AND USES THEREOF BAD, PPOX, CASP3 ROCK1 1379/4885CDC42BPB 1235/4885ROCK2 605/4885

“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.