SCHEMBL953770

SCHEMBL953770

Cc1nn2ccccc2c1-c1nc(-c2ccc(F)cc2F)c(C(N)=O)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 7/20 0.42
DBF4 Q9UBU7 7/20 0.42
CDK2 P24941 6/20 0.42
CCNE1 P24864 5/20 0.42
JAK2 O60674 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
MAPK14 Q16539 4/20 0.35
RAB9A P51151 1/20 0.35
MAPK11 Q15759 2/20 0.35
MAPK9 P45984 2/20 0.35
PRKD2 Q9BZL6 2/20 0.35
PRKD3 O94806 1/20 0.35
MAPKAPK2 P49137 1/20 0.35
MAPK10 P53779 1/20 0.35
ROCK1 Q13464 1/20 0.35
ACVR2B Q13705 1/20 0.35
MYLK Q15746 1/20 0.35
NLK Q9UBE8 1/20 0.35
PI4KB Q9UBF8 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
SCHEMBL956090 0.91 PTGS1 (0.36) CDC7DBF4PTGS1PTGS2MAPK14
SCHEMBL956417 0.90 CDC7 (0.51) CDC7DBF4CDK2CCNE1JAK2
SCHEMBL952522 0.89 CDC7 (0.39) CDC7DBF4PTGS1PTGS2RAB9A
SCHEMBL958106 0.86 EGFR (0.45) CDC7DBF4CDK2CCNE1PTGS1
SCHEMBL955337 0.86 CDC7 (0.46) CDC7DBF4CDK2CCNE1JAK2
SCHEMBL956834 0.86 TRPM8 (0.43) CDC7DBF4CDK2CCNE1JAK2
SCHEMBL955010 0.85 CDC7 (0.40) CDC7DBF4CDK2CCNE1MAPK14
SCHEMBL952856 0.83 CDC7 (0.54) CDC7DBF4CDK2CCNE1CSF1R
SCHEMBL954019 0.83 HTT (0.39) CDC7DBF4CDK2CCNE1JAK2
SCHEMBL953082 0.82 CDC7 (0.42) CDC7DBF4CDK2CCNE1RAB9A

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 601/4885DBF4 3288/4885CDK2 151/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 CDC7 1063/4885DBF4 3779/4885CDK2 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.