SCHEMBL3348251

SCHEMBL3348251

c1cnc(Nc2ccccc2-c2cnc3[nH]ccc3c2)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK8 P49336 6/20 0.56
▸ AXL P30530 1/20 0.56
▸ NUDT1 P36639 1/20 0.53
▸ PIK3CD O00329 1/20 0.51
▸ PIK3CA P42336 1/20 0.51
▸ PIK3CB P42338 1/20 0.51
▸ PIK3CG P48736 1/20 0.51
▸ FEN1 P39748 8/20 0.50
▸ ALOX5AP P20292 7/20 0.50
▸ RIPK1 Q13546 2/20 0.47
▸ CDK7 P50613 2/20 0.43
▸ CCNT1 O60563 1/20 0.43
▸ CCND1 P24385 1/20 0.43
▸ CCNC P24863 1/20 0.43
▸ CDK9 P50750 1/20 0.43
▸ CCNH P51946 1/20 0.43
▸ MNAT1 P51948 1/20 0.43
▸ CDK6 Q00534 1/20 0.43
▸ PLK4 O00444 1/20 0.43
▸ DCLK1 O15075 1/20 0.43

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
SCHEMBL15730259 0.76 FEN1 (0.57) CDK8AXLNUDT1PIK3CDPIK3CA
SCHEMBL858203 0.76 CDK8 (0.64) CDK8AXLNUDT1PIK3CDPIK3CA
SCHEMBL30399451 0.76 CDK8 (0.64) CDK8AXLNUDT1PIK3CDPIK3CA
SCHEMBL858328 0.76 CDK8 (0.64) CDK8AXLNUDT1PIK3CDPIK3CA
SCHEMBL858609 0.76 AXL (0.64) CDK8AXLNUDT1PIK3CDPIK3CA
SCHEMBL12127568 0.76 CDK8 (0.64) CDK8AXLNUDT1PIK3CDPIK3CA
SCHEMBL31064990 0.76 CDK8 (0.64) CDK8AXLNUDT1PIK3CDPIK3CA
SCHEMBL3355653 0.75 FEN1 (0.81) CDK8AXLNUDT1PIK3CDPIK3CA
SCHEMBL4850969 0.74 NUDT1 (0.62) CDK8AXLNUDT1PIK3CDPIK3CA
SCHEMBL18853774 0.74 FEN1 (0.58) CDK8AXLNUDT1PIK3CDPIK3CA

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 CDK8 422/4885AXL 4652/4885NUDT1 258/4885

“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.

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