SCHEMBL3353411

SCHEMBL3353411

Cc1ccc(C(=O)c2cnc3[nH]ccc3c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.51
CDK8 P49336 7/20 0.49
CDK7 P50613 2/20 0.49
PLK4 O00444 1/20 0.49
DCLK1 O15075 1/20 0.49
ROCK2 O75116 1/20 0.49
PRKD3 O94806 1/20 0.49
MAP4K4 O95819 1/20 0.49
PAK4 O96013 1/20 0.49
CHEK2 O96017 1/20 0.49
INSR P06213 1/20 0.49
CDK1 P06493 1/20 0.49
FES P07332 1/20 0.49
ROS1 P08922 1/20 0.49
PDGFRB P09619 1/20 0.49
PDGFRA P16234 1/20 0.49
FER P16591 1/20 0.49
CDK2 P24941 1/20 0.49
MARK3 P27448 1/20 0.49
LTK P29376 1/20 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
SCHEMBL27732330 0.89 RIPK1 (0.56) RIPK1CDK8CDK7PLK4DCLK1
SCHEMBL13356975 0.85 RIPK1 (0.55) RIPK1CDK8CDK7PLK4DCLK1
SCHEMBL4344288 0.85 CDK8 (0.55) RIPK1CDK8CDK7PLK4DCLK1
SCHEMBL2182346 0.85 HPGD (0.51) RIPK1CDK8CDK7PLK4DCLK1
SCHEMBL3349836 0.80 CYP1A2 (0.56) RIPK1CDK8CDK7PLK4DCLK1
SCHEMBL12410716 0.80 CDK8 (0.67) RIPK1CDK8CDK7PLK4DCLK1
SCHEMBL298264 0.78 RIPK1 (0.55) RIPK1CDK8CDK7PLK4DCLK1
SCHEMBL415994 0.77 CDK8 (0.68) RIPK1CDK8CDK7PLK4DCLK1
SCHEMBL298301 0.77 CDK8 (0.68) RIPK1CDK8CDK7PLK4DCLK1
SCHEMBL4117054 0.76 RIPK1 (0.70) RIPK1CDK8CDK7PLK4DCLK1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633750-B1 SYNTHESIS OF 5-SUBSTITUTED 7-AZAINDOLES AND 7-AZAINDOLINES EISAI R&D MAN CO LTD (JP) 2010-12-01 EP disclosed
EP-1633750-B1 SYNTHESIS OF 5-SUBSTITUTED 7-AZAINDOLES AND 7-AZAINDOLINES EISAI R&D MAN CO LTD (JP) 2010-12-01 EP disclosed
US-7652137-B2 Substitued azaindoline intermediate for use in the manufacture of 5-substituted 7-azaindolines and 5-substituted 7-azaindoles; pharmaceutical intermediates EISAI R & D MANAGEMENT CO., LTD. (JP) 2010-01-26 US disclosed
US-7652137-B2 Substitued azaindoline intermediate for use in the manufacture of 5-substituted 7-azaindolines and 5-substituted 7-azaindoles; pharmaceutical intermediates EISAI R & D MANAGEMENT CO., LTD. (JP) 2010-01-26 US disclosed
US-7652137-B2 Substitued azaindoline intermediate for use in the manufacture of 5-substituted 7-azaindolines and 5-substituted 7-azaindoles; pharmaceutical intermediates EISAI R & D MANAGEMENT CO., LTD. (JP) 2010-01-26 US disclosed
US-20060235042-A1 Synthesis EISAI CO., LTD. (JP) 2006-10-19 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-20060235042-A1 Synthesis AZI2, CYP3A5, CYP3A7 RIPK1 3882/4885CDK8 422/4885CDK7 35/4885

“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.