SCHEMBL2995607

SCHEMBL2995607

COc1ccc(COc2ccnc3[nH]cc(-c4ccnc(N)n4)c23)cc1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 13/20 0.71
CDK9 P50750 13/20 0.71
CCNA2 P20248 12/20 0.71
CDK2 P24941 12/20 0.71
CDK5 Q00535 10/20 0.71
CDK5R1 Q15078 10/20 0.71
CCNA1 P78396 8/20 0.71
GSK3B P49841 2/20 0.51
DYRK1A Q13627 2/20 0.51
HTR1A P08908 1/20 0.51
HTR7 P34969 1/20 0.51
HTR2B P41595 1/20 0.51
HTR5A P47898 1/20 0.51
MAP3K14 Q99558 1/20 0.51
NFATC1 O95644 1/20 0.46
PDPK1 O15530 1/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL2996832 0.88 CDK5 (0.69) CCNT1CDK9CCNA2CDK2CDK5
SCHEMBL2999569 0.88 CCNT1 (0.66) CCNT1CDK9CCNA2CDK2CDK5
SCHEMBL2993456 0.87 CCNT1 (0.68) CCNT1CDK9CCNA2CDK2CDK5
SCHEMBL2997169 0.87 CCNT1 (0.68) CCNT1CDK9CCNA2CDK2CDK5
SCHEMBL2994139 0.87 CDK5 (0.71) CCNT1CDK9CCNA2CDK2CDK5
SCHEMBL2990059 0.87 CDK5 (0.71) CCNT1CDK9CCNA2CDK2CDK5
SCHEMBL2992923 0.85 CDK5 (0.65) CCNT1CDK9CCNA2CDK2CDK5
Meriolin 3 SCHEMBL29489951 0.84 CCNT1 (1.00) CCNT1CDK9CCNA2CDK2CDK5
Meriolin 3 SCHEMBL2996575 0.84 CCNT1 (1.00) CCNT1CDK9CCNA2CDK2CDK5
SCHEMBL2994705 0.83 CCNT1 (0.68) CCNT1CDK9CCNA2CDK2CDK5

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 CCNT1 1121/4885CDK9 527/4885CCNA2 266/4885

“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.