SCHEMBL3348987

SCHEMBL3348987

CNc1ccc(-c2cnc3[nH]ccc3c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 4/20 0.67
CDK8 P49336 9/20 0.66
AXL P30530 2/20 0.66
PIK3CA P42336 2/20 0.64
PIK3CD O00329 1/20 0.64
PIK3CB P42338 1/20 0.64
PIK3CG P48736 1/20 0.64
PLK4 O00444 2/20 0.55
ROCK2 O75116 2/20 0.55
PRKD3 O94806 2/20 0.55
MAP4K4 O95819 2/20 0.55
INSR P06213 2/20 0.55
CDK1 P06493 2/20 0.55
ROS1 P08922 2/20 0.55
FER P16591 2/20 0.55
CDK2 P24941 2/20 0.55
MARK3 P27448 2/20 0.55
FLT4 P35916 2/20 0.55
KDR P35968 2/20 0.55
SYK P43405 2/20 0.55

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
SCHEMBL13576332 0.84 PIK3CA (0.60) RIPK1CDK8AXLPIK3CAPIK3CD
SCHEMBL4831501 0.84 CDK8 (0.81) RIPK1CDK8AXLPIK3CAPIK3CD
SCHEMBL15871324 0.83 RIPK1 (0.71) RIPK1CDK8AXLPIK3CAPIK3CD
SCHEMBL14365329 0.83 RIPK1 (0.61) RIPK1CDK8AXLPIK3CAPIK3CD
SCHEMBL1683410 0.81 ULK1 (0.55) RIPK1CDK8AXLPIK3CAPIK3CD
SCHEMBL29072848 0.80 RIPK1 (0.61) RIPK1CDK8AXLPIK3CAPIK3CD
SCHEMBL22978455 0.80 RIPK1 (1.00) RIPK1CDK8AXLPIK3CAPIK3CD
SCHEMBL413503 0.80 RIPK1 (0.71) RIPK1CDK8AXLPIK3CAPIK3CD
SCHEMBL410298 0.80 RIPK1 (0.71) RIPK1CDK8AXLPIK3CAPIK3CD
SCHEMBL12127266 0.80 RIPK1 (0.71) RIPK1CDK8AXLPIK3CAPIK3CD

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-7291630-B2 Azaindoles as inhibitors of c-Jun N-terminal kinases EISAI CO., LTD. (JP) 2007-11-06 US disclosed
US-7291630-B2 Azaindoles as inhibitors of c-Jun N-terminal kinases EISAI CO., LTD. (JP) 2007-11-06 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 422/4885AXL 4652/4885

“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.