SCHEMBL2984438

SCHEMBL2984438

Nc1nccc(-c2c[nH]c3nccc(CCC4CCCCC4)c23)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 14/20 0.54
CDK5R1 Q15078 13/20 0.54
CDK2 P24941 12/20 0.54
CDK9 P50750 11/20 0.54
CCNT1 O60563 10/20 0.54
CCNA2 P20248 9/20 0.54
CCNA1 P78396 9/20 0.54
PDPK1 O15530 3/20 0.46
GSK3B P49841 7/20 0.44
CDK1 P06493 6/20 0.44
PRKACA P17612 6/20 0.44
CCNB2 O95067 5/20 0.44
CCNB1 P14635 5/20 0.44
CCNB3 Q8WWL7 5/20 0.44
CDC7 O00311 3/20 0.44
MAP4K4 O95819 3/20 0.44
HIPK2 Q9H2X6 3/20 0.44
MKNK2 Q9HBH9 3/20 0.44
IRAK4 Q9NWZ3 3/20 0.44
ROCK2 O75116 2/20 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
SCHEMBL2989444 0.80 CCNT1 (0.67) CDK5CDK5R1CDK2CDK9CCNT1
SCHEMBL2988085 0.80 CDK5 (0.67) CDK5CDK5R1CDK2CDK9CCNT1
SCHEMBL27835141 0.79 CDK5 (0.61) CDK5CDK5R1CDK2CDK9CCNT1
SCHEMBL2984437 0.79 CDK5 (0.61) CDK5CDK5R1CDK2CDK9CCNT1
SCHEMBL12355043 0.79 CDK5 (0.67) CDK5CDK5R1CDK2CDK9CCNT1
SCHEMBL1838586 0.78 CDK5 (0.60) CDK5CDK5R1CDK2CDK9CCNT1
SCHEMBL2984404 0.78 CDK5 (0.64) CDK5CDK5R1CDK2CDK9CCNT1
SCHEMBL13521496 0.78 CDK5 (0.65) CDK5CDK5R1CDK2CDK9CCNT1
SCHEMBL2238419 0.78 CDK5 (0.69) CDK5CDK5R1CDK2CDK9CCNT1
SCHEMBL13521485 0.77 CDK5 (0.58) CDK5CDK5R1CDK2CDK9CCNT1

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 64/4885CDK2 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.