SCHEMBL2999752

SCHEMBL2999752

COc1cccc(-c2ccnc3[nH]cc(-c4ccnc(N)n4)c23)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 11/20 0.63
CDK9 P50750 11/20 0.63
CCNA2 P20248 10/20 0.63
CDK2 P24941 10/20 0.63
CDK5 Q00535 8/20 0.63
CDK5R1 Q15078 8/20 0.63
CCNA1 P78396 6/20 0.63
LRRK2 Q5S007 2/20 0.60
GSK3B P49841 2/20 0.55
DYRK1A Q13627 2/20 0.55
HTR1A P08908 1/20 0.55
HTR7 P34969 1/20 0.55
HTR2B P41595 1/20 0.55
HTR5A P47898 1/20 0.55
MAP3K14 Q99558 1/20 0.55
NFATC1 O95644 1/20 0.49
PDPK1 O15530 1/20 0.49
CLK1 P49759 1/20 0.48
STK4 Q13043 1/20 0.48
STK3 Q13188 1/20 0.48

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
SCHEMBL2993899 0.86 CCNT1 (0.68) CCNT1CDK9CCNA2CDK2CDK5
SCHEMBL1839620 0.84 CCNT1 (0.65) CCNT1CDK9CCNA2CDK2CDK5
SCHEMBL2986205 0.83 CDK2 (0.67) CCNT1CDK9CCNA2CDK2CDK5
SCHEMBL2996921 0.83 CCNT1 (0.64) CCNT1CDK9CCNA2CDK2CDK5
SCHEMBL2238967 0.82 CCNT1 (0.65) CCNT1CDK9CCNA2CDK2CDK5
SCHEMBL15650217 0.81 ADORA2A (0.57) CDK5CDK5R1GSK3BDYRK1AMAP3K14
SCHEMBL2999569 0.81 CCNT1 (0.66) CCNT1CDK9CCNA2CDK2CDK5
SCHEMBL1838430 0.80 CCNT1 (0.54) CCNT1CDK9CCNA2CDK2CDK5
SCHEMBL1843005 0.79 CCNT1 (0.61) CCNT1CDK9CCNA2CDK2CDK5
SCHEMBL1840810 0.79 CCNT1 (0.64) CCNT1CDK9CCNA2CDK2CDK5

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 CCNT1 1121/4885CDK9 527/4885CCNA2 266/4885

“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.