Sugi Predict

Sugi Predict / Compounds / SCHEMBL1614977

SCHEMBL1614977

SCHEMBL1614977

Fc1ccc2nc(-c3cnc4[nH]ccc4c3)sc2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.56
▸ CDK8 P49336 6/20 0.47
▸ AXL P30530 2/20 0.47
▸ PIK3CD O00329 2/20 0.46
▸ PIK3CA P42336 2/20 0.46
▸ PIK3CB P42338 1/20 0.46
▸ PIK3CG P48736 1/20 0.46
▸ RIPK1 Q13546 4/20 0.45
▸ BRD4 O60885 1/20 0.43
▸ NUDT1 P36639 1/20 0.42
▸ MTOR P42345 1/20 0.41
▸ ABL1 P00519 3/20 0.41
▸ PLK4 O00444 2/20 0.40
▸ ROCK2 O75116 2/20 0.40
▸ PRKD3 O94806 2/20 0.40
▸ MAP4K4 O95819 2/20 0.40
▸ INSR P06213 2/20 0.40
▸ CDK1 P06493 2/20 0.40
▸ ROS1 P08922 2/20 0.40
▸ FER P16591 2/20 0.40

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
SCHEMBL21566147 0.75 APP (0.56) APPCDK8AXLPIK3CDPIK3CA
SCHEMBL17854924 0.73 RIPK1 (0.64) APPCDK8AXLPIK3CDPIK3CA
SCHEMBL1614989 0.72 APP (0.58) APPPIK3CAMTOR
SCHEMBL1507824 0.72 APP (1.00) APPCDK8AXLPIK3CDPIK3CA
SCHEMBL4831501 0.72 CDK8 (0.81) CDK8AXLPIK3CDPIK3CAPIK3CB
SCHEMBL12468106 0.71 APP (0.56) APP
SCHEMBL21566061 0.69 APP (0.59) APPKDRFGFR1
SCHEMBL18129750 0.69 CDK8 (0.53) CDK8AXLPIK3CDPIK3CAPIK3CB
SCHEMBL13854148 0.68 CDK8 (0.65) APPCDK8AXLPIK3CDPIK3CA
SCHEMBL413503 0.68 RIPK1 (0.71) CDK8AXLPIK3CDPIK3CAPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8530483-B2 Substituted azabenzoxazoles MERCK SHARP & DOHME CORP. (US) 2013-09-10 — — US claimed
US-20110085985-A1 NOVEL SUBSTITUTED AZABENZOXAZOLES MERCK SHARP & DOHME LLC 2011-04-14 — — US claimed
US-8530483-B2 Substituted azabenzoxazoles MERCK SHARP & DOHME CORP. (US) 2013-09-10 — — US disclosed
US-8530483-B2 Substituted azabenzoxazoles MERCK SHARP & DOHME CORP. (US) 2013-09-10 — — US disclosed
US-20110212031-A1 NOVEL SUBSTITUTED AZABENZOXAZOLES MERCK SHARP & DOHME CORP. 2011-09-01 — — US disclosed
US-20110212031-A1 NOVEL SUBSTITUTED AZABENZOXAZOLES MERCK SHARP & DOHME CORP. 2011-09-01 — — US disclosed
US-20110212031-A1 NOVEL SUBSTITUTED AZABENZOXAZOLES MERCK SHARP & DOHME CORP. 2011-09-01 — — US disclosed
US-20110085985-A1 NOVEL SUBSTITUTED AZABENZOXAZOLES MERCK SHARP & DOHME LLC 2011-04-14 — — US disclosed
US-20110085985-A1 NOVEL SUBSTITUTED AZABENZOXAZOLES MERCK SHARP & DOHME LLC 2011-04-14 — — US disclosed
WO-2010051196-A1 NOVEL SUBSTITUTED AZABENZOXAZOLES MERCK SHARP & DOHME CORP. (US) 2010-05-06 — — WO disclosed
WO-2009155017-A2 NOVEL SUBSTITUTED AZABENZOXAZOLES MERCK & CO., INC. (US) 2009-12-23 — — 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 (2 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-20110085985-A1 NOVEL SUBSTITUTED AZABENZOXAZOLES APBA1, APP, BACE1 APP 2/4885CDK8 4410/4885AXL 3668/4885
US-20110212031-A1 NOVEL SUBSTITUTED AZABENZOXAZOLES MAOB, MAOA, AANAT APP 73/4885CDK8 3432/4885AXL 3052/4885

“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.