SCHEMBL2994904

SCHEMBL2994904

Nc1nccc(-c2c[nH]c3nccc(OC4CCCC4)c23)n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 13/20 0.67
CDK5R1 Q15078 13/20 0.67
CCNT1 O60563 10/20 0.67
CDK9 P50750 10/20 0.67
CCNA2 P20248 9/20 0.67
CDK2 P24941 9/20 0.67
CCNA1 P78396 9/20 0.67
ROCK1 Q13464 5/20 0.57
CDC42BPB Q9Y5S2 5/20 0.57
ROCK2 O75116 4/20 0.53
CDC42BPA Q5VT25 2/20 0.53
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 2/20 0.49
GSK3B P49841 4/20 0.46
CLK1 P49759 2/20 0.46
CCNB2 O95067 2/20 0.46
CDK1 P06493 2/20 0.46

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
SCHEMBL2996728 0.99 CDK5 (0.65) CDK5CDK5R1CCNT1CDK9CCNA2
SCHEMBL2998000 0.99 CDK5 (0.65) CDK5CDK5R1CCNT1CDK9CCNA2
SCHEMBL30093657 0.91 ROCK1 (0.64) CDK5CDK5R1CCNT1CDK9CCNA2
SCHEMBL2989444 0.83 CCNT1 (0.67) CDK5CDK5R1CCNT1CDK9CCNA2
Meriolin 3 SCHEMBL29489951 0.80 CCNT1 (1.00) CDK5CDK5R1CCNT1CDK9CCNA2
Meriolin 3 SCHEMBL2996575 0.80 CCNT1 (1.00) CDK5CDK5R1CCNT1CDK9CCNA2
SCHEMBL30093757 0.80 CDK5 (0.61) CDK5CDK5R1CCNT1CDK9CCNA2
SCHEMBL2239857 0.80 CDK5 (0.58) CDK5CDK5R1CCNT1CDK9CCNA2
SCHEMBL27835141 0.80 CDK5 (0.61) CDK5CDK5R1CCNT1CDK9CCNA2
Meriolin 4 SCHEMBL31061625 0.78 CDK5 (1.00) 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.