SCHEMBL2994953

SCHEMBL2994953

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 14/20 0.65
CDK9 P50750 14/20 0.65
CDK2 P24941 14/20 0.65
CDK5 Q00535 13/20 0.65
CDK5R1 Q15078 13/20 0.65
CCNA2 P20248 13/20 0.65
CCNA1 P78396 9/20 0.65
PDPK1 O15530 2/20 0.56
GSK3B P49841 5/20 0.52
DYRK1A Q13627 3/20 0.52
CCNB2 O95067 2/20 0.49
CDK1 P06493 2/20 0.49
CCNB1 P14635 2/20 0.49
PRKACA P17612 2/20 0.49
PRKACG P22612 2/20 0.49
PRKACB P22694 2/20 0.49
CCNB3 Q8WWL7 2/20 0.49
CLK1 P49759 2/20 0.49
HTR1A P08908 2/20 0.49
HTR2B P41595 2/20 0.49

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
SCHEMBL1838571 0.85 CDK2 (0.57) CCNT1CDK9CDK2CDK5CDK5R1
SCHEMBL2996844 0.82 CCNT1 (0.74) CCNT1CDK9CDK2CDK5CDK5R1
SCHEMBL2997123 0.82 CDK5 (0.70) CCNT1CDK9CDK2CDK5CDK5R1
SCHEMBL2994106 0.81 CDK5 (0.74) CCNT1CDK9CDK2CDK5CDK5R1
SCHEMBL2239702 0.79 CDK5 (1.00) CCNT1CDK9CDK2CDK5CDK5R1
SCHEMBL2999587 0.79 CDK5 (0.70) CCNT1CDK9CDK2CDK5CDK5R1
Meriolin 2 SCHEMBL2999865 0.79 CDK5 (0.70) CCNT1CDK9CDK2CDK5CDK5R1
SCHEMBL2991181 0.79 CDK5 (0.70) CCNT1CDK9CDK2CDK5CDK5R1
SCHEMBL2993544 0.77 CCNT1 (0.73) CCNT1CDK9CDK2CDK5CDK5R1
SCHEMBL12355043 0.77 CDK5 (0.67) CCNT1CDK9CDK2CDK5CDK5R1

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 2 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 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 527/4885CDK2 127/4885

“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.