SCHEMBL952954

SCHEMBL952954

COC(=O)c1sc(-c2c(C)nn3ccccc23)nc1O

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 8/20 0.55
CDC7 O00311 3/20 0.44
DBF4 Q9UBU7 3/20 0.44
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
MAPT P10636 6/20 0.38
KDM4E B2RXH2 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
MIF P14174 1/20 0.36
HSP90AA1 P07900 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35

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
SCHEMBL953769 0.89 CDC7 (0.59) TRPM8CDC7DBF4MAPTKDM4E
SCHEMBL955925 0.86 TRPM8 (0.41) TRPM8NPC1HPGDRAB9AMAPT
SCHEMBL958092 0.85 TRPM8 (0.38) TRPM8CDC7DBF4NPC1HPGD
SCHEMBL957443 0.83 TSHR (0.39) TRPM8NPC1HPGDRAB9AMAPT
SCHEMBL953824 0.83 NPC1 (0.37) TRPM8CDC7DBF4NPC1HPGD
SCHEMBL952277 0.82 SMN1; SMN2 (0.36) TRPM8NPC1HPGDRAB9AMAPT
SCHEMBL952025 0.81 TRPM8 (0.38) TRPM8CDC7DBF4NPC1HPGD
SCHEMBL953720 0.81 TRPM8 (0.40) TRPM8CDC7DBF4NPC1HPGD
SCHEMBL952918 0.81 BLM (0.36) TRPM8CDC7DBF4NPC1HPGD
SCHEMBL956857 0.81 TRPM8 (0.49) TRPM8CDC7DBF4NPC1HPGD

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 2427/4885CDC7 601/4885DBF4 3288/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 TRPM8 4834/4885CDC7 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.