SCHEMBL2996832

SCHEMBL2996832

Nc1nccc(-c2c[nH]c3nccc(OCc4ccc(O)cc4)c23)n1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 16/20 0.69
CDK5R1 Q15078 16/20 0.69
CCNT1 O60563 12/20 0.69
CDK9 P50750 12/20 0.69
CDK2 P24941 12/20 0.69
CCNA2 P20248 11/20 0.69
CCNA1 P78396 11/20 0.69
GSK3B P49841 6/20 0.48
CCNB2 O95067 3/20 0.48
CDK1 P06493 3/20 0.48
CCNB1 P14635 3/20 0.48
PRKACA P17612 3/20 0.48
PRKACG P22612 3/20 0.48
PRKACB P22694 3/20 0.48
CCNB3 Q8WWL7 3/20 0.48
PDPK1 O15530 2/20 0.48
HTR1A P08908 2/20 0.48
HTR2B P41595 2/20 0.48
SLC6A3 Q01959 1/20 0.48
CSNK1A1 P48729 2/20 0.46

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
SCHEMBL2997169 0.90 CCNT1 (0.68) CDK5CDK5R1CCNT1CDK9CDK2
SCHEMBL2993456 0.90 CCNT1 (0.68) CDK5CDK5R1CCNT1CDK9CDK2
SCHEMBL2994139 0.90 CDK5 (0.71) CDK5CDK5R1CCNT1CDK9CDK2
SCHEMBL2990059 0.90 CDK5 (0.71) CDK5CDK5R1CCNT1CDK9CDK2
SCHEMBL2995607 0.88 CCNT1 (0.71) CDK5CDK5R1CCNT1CDK9CDK2
SCHEMBL2988170 0.87 CCNT1 (0.64) CDK5CDK5R1CCNT1CDK9CDK2
SCHEMBL2994705 0.85 CCNT1 (0.68) CDK5CDK5R1CCNT1CDK9CDK2
SCHEMBL2992923 0.85 CDK5 (0.65) CDK5CDK5R1CCNT1CDK9CDK2
SCHEMBL2991126 0.84 CDK5 (0.67) CDK5CDK5R1CCNT1CDK9CDK2
SCHEMBL2992561 0.84 CCNT1 (0.67) CDK5CDK5R1CCNT1CDK9CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125803-B1 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 NAT RECH SCIENT (FR) 2013-04-10 EP claimed
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 claimed
EP-2125803-B1 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 NAT RECH SCIENT (FR) 2013-04-10 EP disclosed
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 CDK5 15/4885CDK5R1 64/4885CCNT1 1121/4885

“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.