SCHEMBL3355653

SCHEMBL3355653

c1cnc(Oc2ccccc2-c2cnc3[nH]ccc3c2)nc1

nearest known ligand 0.81

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FEN1 P39748 11/20 0.81
▸ ALOX5AP P20292 10/20 0.81
▸ CDK8 P49336 4/20 0.55
▸ AXL P30530 1/20 0.55
▸ NUDT1 P36639 1/20 0.52
▸ PIK3CD O00329 1/20 0.50
▸ PIK3CA P42336 1/20 0.50
▸ PIK3CB P42338 1/20 0.50
▸ PIK3CG P48736 1/20 0.50
▸ BRD4 O60885 1/20 0.47
▸ RIPK1 Q13546 1/20 0.46

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
SCHEMBL15915977 0.90 ALOX5AP (1.00) FEN1ALOX5AP
SCHEMBL1487537 0.85 FEN1 (0.61) FEN1ALOX5APCDK8AXLNUDT1
SCHEMBL13854146 0.81 CDK8 (0.57) FEN1ALOX5APCDK8AXLNUDT1
SCHEMBL15916648 0.80 ALOX5AP (1.00) FEN1ALOX5AP
SCHEMBL3348956 0.77 AXL (0.56) FEN1ALOX5APCDK8AXLNUDT1
SCHEMBL8320112 0.76 ALOX5AP (0.52) FEN1ALOX5APCDK8AXL
SCHEMBL15730259 0.75 FEN1 (0.57) FEN1ALOX5APCDK8AXLNUDT1
SCHEMBL3348251 0.75 CDK8 (0.56) FEN1ALOX5APCDK8AXLNUDT1
SCHEMBL858203 0.75 CDK8 (0.64) FEN1ALOX5APCDK8AXLNUDT1
SCHEMBL31064990 0.75 CDK8 (0.64) FEN1ALOX5APCDK8AXLNUDT1

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 FEN1 1559/4885ALOX5AP 1614/4885CDK8 422/4885

“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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