SCHEMBL2996841

SCHEMBL2996841

CCCCc1cc(NC(C)=O)nc2[nH]cc(-c3ccnc(N)n3)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK5 Q00535 13/20 0.48
▸ CDK5R1 Q15078 13/20 0.48
▸ CCNT1 O60563 12/20 0.48
▸ CDK9 P50750 12/20 0.48
▸ CDK2 P24941 12/20 0.48
▸ CCNA2 P20248 11/20 0.48
▸ CCNA1 P78396 9/20 0.48
▸ PDPK1 O15530 5/20 0.42
▸ CCNB2 O95067 3/20 0.40
▸ CDK1 P06493 3/20 0.40
▸ CCNB1 P14635 3/20 0.40
▸ PRKACA P17612 3/20 0.40
▸ PRKACG P22612 3/20 0.40
▸ PRKACB P22694 3/20 0.40
▸ GSK3B P49841 3/20 0.40
▸ CCNB3 Q8WWL7 3/20 0.40
▸ CSNK1A1 P48729 2/20 0.40
▸ CSNK1D P48730 2/20 0.40
▸ CSNK1E P49674 2/20 0.40
▸ CSNK1G2 P78368 2/20 0.40

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
SCHEMBL2989377 0.83 CCNT1 (0.66) CDK5CDK5R1CCNT1CDK9CDK2
SCHEMBL2997407 0.82 CCNT1 (0.65) CDK5CDK5R1CCNT1CDK9CDK2
SCHEMBL2984404 0.80 CDK5 (0.64) CDK5CDK5R1CCNT1CDK9CDK2
SCHEMBL2995731 0.80 CCNT1 (0.64) CDK5CDK5R1CCNT1CDK9CDK2
SCHEMBL2996867 0.80 CCNT1 (0.47) CDK5CDK5R1CCNT1CDK9CDK2
SCHEMBL2991110 0.79 CDK9 (0.46) CDK5CDK5R1CCNT1CDK9CDK2
SCHEMBL2999928 0.77 CDK5 (0.63) CDK5CDK5R1CCNT1CDK9CDK2
SCHEMBL2989519 0.76 CDK5 (0.61) CDK5CDK5R1CCNT1CDK9CDK2
SCHEMBL2988085 0.76 CDK5 (0.67) CDK5CDK5R1CCNT1CDK9CDK2
SCHEMBL2998764 0.75 CDK5 (0.48) 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 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 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.

Send feedback