SCHEMBL3348302

SCHEMBL3348302

C[Si](C)(C)c1cnc2[nH]ccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 8/20 0.51
AXL P30530 3/20 0.51
KDR P35968 3/20 0.50
FGFR1 P11362 2/20 0.50
PIK3CA P42336 2/20 0.50
PIK3CD O00329 1/20 0.50
PIK3CB P42338 1/20 0.50
PIK3CG P48736 1/20 0.50
RIPK1 Q13546 4/20 0.49
BRD4 O60885 1/20 0.46
NUDT1 P36639 2/20 0.45
PLK4 O00444 2/20 0.44
ROCK2 O75116 2/20 0.44
PRKD3 O94806 2/20 0.44
MAP4K4 O95819 2/20 0.44
INSR P06213 2/20 0.44
CDK1 P06493 2/20 0.44
ROS1 P08922 2/20 0.44
FER P16591 2/20 0.44
CDK2 P24941 2/20 0.44

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
SCHEMBL27905522 0.80 CDK8 (0.47) CDK8AXLKDRFGFR1PIK3CA
SCHEMBL294106 0.76 CDK8 (0.55) CDK8AXLKDRFGFR1PIK3CA
SCHEMBL91324 0.76 KDR (0.60) CDK8AXLKDRFGFR1PIK3CA
SCHEMBL29858603 0.76 KDR (0.60) CDK8AXLKDRFGFR1PIK3CA
SCHEMBL4831501 0.75 CDK8 (0.81) CDK8AXLKDRFGFR1PIK3CA
SCHEMBL23655689 0.74 CDK8 (0.56) CDK8AXLKDRFGFR1PIK3CA
SCHEMBL1683410 0.73 ULK1 (0.55) CDK8AXLKDRFGFR1PIK3CA
SCHEMBL8488599 0.73 CDK8 (0.51) CDK8AXLKDRFGFR1PIK3CA
SCHEMBL22766181 0.73 CDK8 (0.51) CDK8AXLKDRFGFR1PIK3CA
SCHEMBL11990128 0.73 KDR (0.66) CDK8AXLKDRFGFR1PIK3CA

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 8 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
EP-1633750-A2 SYNTHESIS OF 5-SUBSTITUTED 7-AZAINDOLES AND 7-AZAINDOLINES Eisai Co., Ltd. (JP) 2006-03-15 EP disclosed
WO-2004078757-A2 SYNTHESIS OF 5-SUBSTITUTED 7-AZAINDOLES AND 7-AZAIDONINES EISAI CO., LTD. (JP) 2004-09-16 WO 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 CDK8 422/4885AXL 4652/4885KDR 3439/4885

“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.