SCHEMBL952025

SCHEMBL952025

COC(=O)c1sc(-c2c(C)nn3ccccc23)nc1-c1ccoc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.38
ACHE P22303 4/20 0.36
CDC7 O00311 3/20 0.35
DBF4 Q9UBU7 3/20 0.35
HPGD P15428 2/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 1/20 0.33
NR4A2 P43354 1/20 0.33
HSD17B10 Q99714 1/20 0.33
EGFR P00533 1/20 0.32

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
SCHEMBL952850 0.89 SMN1; SMN2 (0.40) ACHECDC7DBF4HPGDRAB9A
SCHEMBL953394 0.88 CDC7 (0.40) ACHECDC7DBF4RAB9ANPC1
SCHEMBL958092 0.84 TRPM8 (0.38) TRPM8CDC7DBF4HPGDRAB9A
SCHEMBL953628 0.83 TRPM8 (0.42) TRPM8CDC7DBF4ALDH1A1KDM4E
SCHEMBL953824 0.82 NPC1 (0.37) TRPM8CDC7DBF4HPGDRAB9A
SCHEMBL957443 0.82 TSHR (0.39) TRPM8HPGDRAB9ANPC1ALDH1A1
SCHEMBL952954 0.81 TRPM8 (0.55) TRPM8CDC7DBF4HPGDRAB9A
SCHEMBL955925 0.81 TRPM8 (0.41) TRPM8HPGDRAB9ANPC1ALDH1A1
SCHEMBL957422 0.79 CDC7 (0.59) TRPM8CDC7DBF4HPGDALDH1A1
SCHEMBL951855 0.79 TSHR (0.36) TRPM8HPGDRAB9ANPC1KDM4E

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 TRPM8 2427/4885ACHE 4845/4885CDC7 601/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 TRPM8 4834/4885ACHE 4721/4885CDC7 1063/4885

“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.