SCHEMBL2997834

SCHEMBL2997834

COc1ccnc2[nH]cc(-c3ccncn3)c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 8/20 1.00
CDK9 P50750 8/20 1.00
CDK5 Q00535 8/20 1.00
CDK5R1 Q15078 8/20 1.00
CCNA2 P20248 7/20 1.00
CDK2 P24941 7/20 1.00
CCNA1 P78396 7/20 1.00
ROCK1 Q13464 10/20 0.58
CDC42BPB Q9Y5S2 10/20 0.58
ROCK2 O75116 7/20 0.55
HTR2A P28223 1/20 0.50
CDC42BPA Q5VT25 6/20 0.48
HTR1A P08908 1/20 0.44
HTR7 P34969 1/20 0.44
HTR2B P41595 1/20 0.44
HTR5A P47898 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
SCHEMBL29941740 1.00 CCNT1 (1.00) CCNT1CDK9CDK5CDK5R1CCNA2
SCHEMBL2994944 0.86 CCNT1 (0.76) CCNT1CDK9CDK5CDK5R1CCNA2
SCHEMBL2994991 0.85 CCNT1 (0.74) CCNT1CDK9CDK5CDK5R1CCNA2
SCHEMBL2998522 0.84 CCNT1 (0.73) CCNT1CDK9CDK5CDK5R1CCNA2
SCHEMBL29941422 0.84 CCNT1 (0.73) CCNT1CDK9CDK5CDK5R1CCNA2
SCHEMBL2988182 0.81 CCNT1 (0.68) CCNT1CDK9CDK5CDK5R1CCNA2
Meriolin 3 SCHEMBL2996575 0.80 CCNT1 (1.00) CCNT1CDK9CDK5CDK5R1CCNA2
Meriolin 3 SCHEMBL29489951 0.80 CCNT1 (1.00) CCNT1CDK9CDK5CDK5R1CCNA2
SCHEMBL2993897 0.79 CCNT1 (0.65) CCNT1CDK9CDK5CDK5R1CCNA2
SCHEMBL2997144 0.78 CDK2 (0.64) CCNT1CDK9CDK5CDK5R1CCNA2

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 527/4885CDK5 15/4885

“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.