SCHEMBL2986205

SCHEMBL2986205

Nc1nccc(-c2c[nH]c3nccc(-c4cccc(F)c4)c23)n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 15/20 0.67
CCNT1 O60563 15/20 0.67
CDK9 P50750 15/20 0.67
CCNA2 P20248 14/20 0.67
CDK5 Q00535 9/20 0.57
CDK5R1 Q15078 9/20 0.57
CCNA1 P78396 7/20 0.57
PRKACA P17612 2/20 0.52
GSK3B P49841 2/20 0.52
PDPK1 O15530 2/20 0.52
CDC7 O00311 1/20 0.52
ROCK2 O75116 1/20 0.52
MAP4K4 O95819 1/20 0.52
PIM1 P11309 1/20 0.52
HIPK2 Q9H2X6 1/20 0.52
CLK4 Q9HAZ1 1/20 0.52
IRAK4 Q9NWZ3 1/20 0.52
MAP3K14 Q99558 1/20 0.52
HTR1A P08908 2/20 0.49
HTR2B P41595 2/20 0.49

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
SCHEMBL2996921 0.86 CCNT1 (0.64) CDK2CCNT1CDK9CCNA2CDK5
SCHEMBL2993574 0.85 CCNT1 (0.62) CDK2CCNT1CDK9CCNA2CDK5
SCHEMBL2238967 0.85 CCNT1 (0.65) CDK2CCNT1CDK9CCNA2CDK5
SCHEMBL2999752 0.83 CCNT1 (0.63) CDK2CCNT1CDK9CCNA2CDK5
SCHEMBL1838430 0.83 CCNT1 (0.54) CDK2CCNT1CDK9CCNA2CDK5
SCHEMBL1843005 0.82 CCNT1 (0.61) CDK2CCNT1CDK9CCNA2CDK5
SCHEMBL3768598 0.82 CDK2 (0.55) CDK2CCNT1CDK9CCNA2PRKACA
SCHEMBL18942004 0.81 CCNT1 (1.00) CDK2CCNT1CDK9CCNA2CDK5
SCHEMBL30093610 0.80 CCNT1 (0.65) CDK2CCNT1CDK9CCNA2CDK5
SCHEMBL5229810 0.79 HSP90AA1 (0.62) CDK2CCNT1CDK9CCNA2PRKACA

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 CDK2 127/4885CCNT1 1121/4885CDK9 527/4885

“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.