SCHEMBL952685

SCHEMBL952685

CCOC(=O)c1sc(-c2c(C)nn3ccccc23)nc1OCC

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
CDC7 O00311 8/20 0.43
DBF4 Q9UBU7 8/20 0.43
TRPM8 Q7Z2W7 4/20 0.43
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL954881 0.91 SMN1; SMN2 (0.39) LMNACDC7DBF4TRPM8ALDH1A1
SCHEMBL952001 0.90 CDC7 (0.37) LMNACDC7DBF4TRPM8ALDH1A1
SCHEMBL953769 0.87 CDC7 (0.59) LMNACDC7DBF4TRPM8ALDH1A1
SCHEMBL951974 0.85 TRPM8 (0.41) LMNACDC7DBF4TRPM8ALDH1A1
SCHEMBL957422 0.84 CDC7 (0.59) CDC7DBF4TRPM8ALDH1A1HPGD
SCHEMBL952070 0.84 CDC7 (0.47) LMNACDC7DBF4TRPM8ALDH1A1
SCHEMBL953720 0.82 TRPM8 (0.40) LMNACDC7DBF4TRPM8ALDH1A1
SCHEMBL952918 0.81 BLM (0.36) LMNACDC7DBF4TRPM8ALDH1A1
SCHEMBL953687 0.81 CDC7 (0.61) LMNACDC7DBF4TRPM8ALDH1A1
SCHEMBL953635 0.81 CDC7 (0.47) LMNACDC7DBF4TRPM8ALDH1A1

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 LMNA 4454/4885CDC7 601/4885DBF4 3288/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 LMNA 2019/4885CDC7 1063/4885DBF4 3779/4885

“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.