Sugi Predict

Sugi Predict / Compounds / SCHEMBL956509

SCHEMBL956509

SCHEMBL956509

C=CCOc1nc(-c2c(C)nn3ccccc23)sc1C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 1/20 0.35
▸ CCNE1 P24864 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ DBF4 Q9UBU7 1/20 0.35
▸ POLB P06746 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ PLK1 P53350 4/20 0.33
▸ GABRP O00591 1/20 0.33
▸ GABRD O14764 1/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRB1 P18505 1/20 0.33
▸ GABRG2 P18507 1/20 0.33
▸ GABRB3 P28472 1/20 0.33
▸ GABRA5 P31644 1/20 0.33

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
SCHEMBL953608 0.91 SMN1; SMN2 (0.36) POLBALDH1A1MEN1RECQLKMT2A
SCHEMBL952918 0.90 BLM (0.36) CDC7DBF4POLBALDH1A1MEN1
SCHEMBL952001 0.88 CDC7 (0.37) CDC7CCNE1CDK2DBF4ALDH1A1
SCHEMBL954065 0.85 PLK1 (0.41) CDC7CCNE1CDK2DBF4ALDH1A1
SCHEMBL954881 0.79 SMN1; SMN2 (0.39) CDC7DBF4ALDH1A1MEN1KMT2A
SCHEMBL953497 0.79 CDC7 (0.39) CDC7CCNE1CDK2DBF4ALDH1A1
SCHEMBL958143 0.79 LMNA (0.38) CDC7CCNE1CDK2DBF4ALDH1A1
SCHEMBL952685 0.78 LMNA (0.46) CDC7DBF4ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL951849 0.77 SMN1; SMN2 (0.40) ALDH1A1MEN1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL955033 0.77 LMNA (0.34) CDC7CCNE1CDK2DBF4POLB

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
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
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

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.