SCHEMBL956834

SCHEMBL956834

Cc1nn2ccccc2c1-c1nc(-c2cccc(F)c2)c(C(N)=O)s1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 9/20 0.43
CDC7 O00311 2/20 0.41
CCNE1 P24864 2/20 0.41
CDK2 P24941 2/20 0.41
DBF4 Q9UBU7 2/20 0.41
PTGER1 P34995 2/20 0.38
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
JAK2 O60674 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
GPR52 Q9Y2T5 1/20 0.36
PTGS2 P35354 1/20 0.35
ALPL P05186 1/20 0.35
ALPI P09923 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
SCHEMBL955566 0.91 TRPM8 (0.43) TRPM8CDC7DBF4PTGER1HCRTR1
SCHEMBL958106 0.89 EGFR (0.45) TRPM8CDC7CCNE1CDK2DBF4
SCHEMBL952241 0.89 CDC7 (0.52) CDC7CCNE1CDK2DBF4LMNA
SCHEMBL953628 0.89 TRPM8 (0.42) TRPM8CDC7DBF4PTGER1HCRTR1
SCHEMBL955010 0.86 CDC7 (0.40) CDC7CCNE1CDK2DBF4LMNA
SCHEMBL953770 0.86 CDC7 (0.42) CDC7CCNE1CDK2DBF4JAK2
SCHEMBL953497 0.85 CDC7 (0.39) CDC7CCNE1CDK2DBF4LMNA
SCHEMBL956417 0.83 CDC7 (0.51) CDC7CCNE1CDK2DBF4JAK2
SCHEMBL955337 0.83 CDC7 (0.46) CDC7CCNE1CDK2DBF4JAK2
SCHEMBL955322 0.82 CDC7 (0.42) CDC7CCNE1CDK2DBF4PTGER1

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 601/4885CCNE1 1329/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 TRPM8 4834/4885CDC7 1063/4885CCNE1 64/4885

“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.