Sugi Predict

Sugi Predict / Compounds / SCHEMBL956697

SCHEMBL956697

SCHEMBL956697

Cc1nc(-c2ccccc2)c(C(N)=O)s1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 1/20 0.61
▸ CCNE1 P24864 1/20 0.61
▸ CDK2 P24941 1/20 0.61
▸ DBF4 Q9UBU7 1/20 0.61
▸ NTRK1 P04629 2/20 0.58
▸ PTGS1 P23219 2/20 0.52
▸ PTGS2 P35354 2/20 0.52
▸ ALDH1A1 P00352 4/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ IKBKB O14920 2/20 0.48
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ BTK Q06187 2/20 0.47
▸ DHODH Q02127 1/20 0.47
▸ RECQL P46063 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
SCHEMBL27729658 0.88 NTRK1 (0.59) CDC7CCNE1CDK2DBF4NTRK1
SCHEMBL275863 0.88 NTRK1 (0.59) CDC7CCNE1CDK2DBF4NTRK1
SCHEMBL10242392 0.86 KMT2A (0.58) CDC7CCNE1CDK2DBF4NTRK1
SCHEMBL10242397 0.83 ADORA3 (0.61) NTRK1ALDH1A1MAPTSMN1; SMN2ALOX5
SCHEMBL4761846 0.83 PTGS2 (0.54) CDC7CCNE1CDK2DBF4NTRK1
SCHEMBL4740819 0.83 CDC7 (0.85) CDC7CCNE1CDK2DBF4ALDH1A1
SCHEMBL2521905 0.83 ALDH1A1 (0.62) CDC7CCNE1CDK2DBF4ALDH1A1
SCHEMBL10242419 0.82 ALDH1A1 (0.61) CDC7DBF4NTRK1ALDH1A1KDM4E
SCHEMBL276196 0.82 NTRK1 (0.57) CDC7DBF4NTRK1ALDH1A1KDM4E
SCHEMBL15428574 0.82 KMT2A (0.52) CDC7CCNE1CDK2DBF4RAB9A

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
US-9139589-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-09-22 — — US disclosed
US-9090601-B2 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-28 — — US disclosed
CN-102395585-A Heteroaryls and their use as pi3k inhibitors MILLENNIUM PHARM INC 2012-03-28 — — CN disclosed
EP-2391619-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS Millennium Pharmaceuticals, Inc. (US) 2011-12-07 — — EP disclosed
US-20110003807-A1 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 — — US disclosed
US-20110003806-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 — — US disclosed
WO-2010090716-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-08-12 — — WO disclosed
WO-2008016811-A2 AMINOPIPERIDINES AND REALTED COMPOUNDS NEUROGEN CORPORATION (US) 2008-02-07 — — 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-20110003807-A1 Thiazole derivatives MTOR, RICTOR, AKT2 CDC7 601/4885CCNE1 1329/4885CDK2 151/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 CDC7 1063/4885CCNE1 64/4885CDK2 25/4885

“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.