SCHEMBL2989355

SCHEMBL2989355

COc1ccnc2[nH]cc(C(C)=O)c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 4/20 0.50
CCNA2 P20248 4/20 0.50
CDK2 P24941 4/20 0.50
CDK9 P50750 4/20 0.50
CCNA1 P78396 4/20 0.50
CDK5 Q00535 4/20 0.50
CDK5R1 Q15078 4/20 0.50
CYP2D6 P10635 1/20 0.47
CYP3A4 P08684 3/20 0.47
CYP2C9 P11712 2/20 0.47
MAP3K7 O43318 1/20 0.46
TAB1 Q15750 1/20 0.46
MAP2K1 Q02750 1/20 0.46
HTR2A P28223 1/20 0.44
SRC P12931 2/20 0.40
TGFBR1 P36897 2/20 0.40
IKBKB O14920 1/20 0.39
MET P08581 1/20 0.38
JAK2 O60674 1/20 0.38
JAK3 P52333 1/20 0.38

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
SCHEMBL8512921 0.87 CDK2 (0.51) CCNT1CCNA2CDK2CDK9CCNA1
SCHEMBL5787048 0.85 CYP2D6 (0.53) CCNT1CCNA2CDK2CDK9CCNA1
SCHEMBL2989659 0.85 CCNT1 (0.51) CCNT1CCNA2CDK2CDK9CCNA1
SCHEMBL31211543 0.83 MAP3K7 (0.51) CCNT1CCNA2CDK2CDK9CCNA1
SCHEMBL25291493 0.83 MAP3K7 (0.51) CCNT1CCNA2CDK2CDK9CCNA1
SCHEMBL2994099 0.83 CCNT1 (0.53) CCNT1CCNA2CDK2CDK9CCNA1
SCHEMBL12146879 0.80 MAP3K7 (0.46) CDK2CDK9CDK5MAP3K7TAB1
SCHEMBL13357715 0.79 CYP2D6 (0.44) CCNT1CCNA2CDK2CDK9CCNA1
SCHEMBL30093755 0.79 MET (0.44) CYP3A4CYP2C9MAP3K7TAB1MAP2K1
SCHEMBL30134852 0.78 MAP3K7 (0.45) CDK2CDK9CDK5MAP3K7TAB1

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 3 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
EP-1896470-B1 PYRROLOPYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-05-26 EP 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 1121/4885CCNA2 266/4885CDK2 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.