SCHEMBL2992869

SCHEMBL2992869

CCCCCOc1ccnc2[nH]cc(-c3ccnc(N)n3)c12

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 13/20 0.87
CDK5R1 Q15078 13/20 0.87
CCNT1 O60563 13/20 0.87
CDK9 P50750 13/20 0.87
CCNA2 P20248 12/20 0.87
CDK2 P24941 12/20 0.87
CCNA1 P78396 11/20 0.87
HTR1A P08908 2/20 0.49
HTR2B P41595 2/20 0.49
HTR7 P34969 1/20 0.49
HTR5A P47898 1/20 0.49
PDPK1 O15530 4/20 0.49
GSK3B P49841 3/20 0.44
DYRK1A Q13627 3/20 0.44
NFATC1 O95644 2/20 0.44
CLK1 P49759 2/20 0.44
CCNB2 O95067 1/20 0.44
CDK1 P06493 1/20 0.44
CCNB1 P14635 1/20 0.44
PRKACA P17612 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
SCHEMBL2994949 0.96 CCNT1 (0.89) CDK5CDK5R1CCNT1CDK9CCNA2
Meriolin 5 SCHEMBL2997013 0.93 CDK5 (1.00) CDK5CDK5R1CCNT1CDK9CCNA2
Meriolin 4 SCHEMBL31061625 0.88 CDK5 (1.00) CDK5CDK5R1CCNT1CDK9CCNA2
Meriolin 4 SCHEMBL3001373 0.88 CDK5 (1.00) CDK5CDK5R1CCNT1CDK9CCNA2
SCHEMBL2986156 0.87 CDK5 (0.77) CDK5CDK5R1CCNT1CDK9CCNA2
Meriolin 7 SCHEMBL31061600 0.87 CCNT1 (1.00) CDK5CDK5R1CCNT1CDK9CCNA2
Meriolin 7 SCHEMBL2239805 0.87 CCNT1 (1.00) CDK5CDK5R1CCNT1CDK9CCNA2
SCHEMBL1836185 0.87 CDK5 (0.77) CDK5CDK5R1CCNT1CDK9CCNA2
SCHEMBL1836044 0.86 CDK5 (0.78) CDK5CDK5R1CCNT1CDK9CCNA2
SCHEMBL2992879 0.86 CDK5 (0.78) CDK5CDK5R1CCNT1CDK9CCNA2

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.