SCHEMBL2997169

SCHEMBL2997169

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 14/20 0.68
CDK9 P50750 14/20 0.68
CCNA2 P20248 13/20 0.68
CDK2 P24941 13/20 0.68
CDK5 Q00535 12/20 0.68
CDK5R1 Q15078 12/20 0.68
CCNA1 P78396 11/20 0.68
HTR1A P08908 2/20 0.47
HTR2B P41595 2/20 0.47
HTR7 P34969 1/20 0.47
HTR5A P47898 1/20 0.47
MAP3K14 Q99558 1/20 0.47
PDPK1 O15530 2/20 0.47
MET P08581 1/20 0.45
DYRK1A Q13627 2/20 0.44
CLK1 P49759 1/20 0.44
DYRK2 Q92630 1/20 0.44
DYRK1B Q9Y463 1/20 0.44
GSK3B P49841 2/20 0.42
NFATC1 O95644 1/20 0.42

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 0.90 CDK5 (0.69) CCNT1CDK9CCNA2CDK2CDK5
SCHEMBL2993456 0.89 CCNT1 (0.68) CCNT1CDK9CCNA2CDK2CDK5
SCHEMBL2994139 0.89 CDK5 (0.71) CCNT1CDK9CCNA2CDK2CDK5
SCHEMBL2990059 0.89 CDK5 (0.71) CCNT1CDK9CCNA2CDK2CDK5
SCHEMBL3001358 0.87 CCNT1 (0.63) CCNT1CDK9CCNA2CDK2CDK5
SCHEMBL2995607 0.87 CCNT1 (0.71) CCNT1CDK9CCNA2CDK2CDK5
SCHEMBL2994705 0.84 CCNT1 (0.68) CCNT1CDK9CCNA2CDK2CDK5
SCHEMBL2992923 0.84 CDK5 (0.65) CCNT1CDK9CCNA2CDK2CDK5
SCHEMBL30093739 0.84 CCNT1 (0.67) CCNT1CDK9CCNA2CDK2CDK5
SCHEMBL2991126 0.83 CDK5 (0.67) 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.