SCHEMBL2488956

SCHEMBL2488956

NC(=O)c1sc(N)nc1-c1ccccc1C(F)(F)F

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 2/20 0.64
▸ DBF4 Q9UBU7 2/20 0.64
▸ CCNE1 P24864 1/20 0.64
▸ CDK2 P24941 1/20 0.64
▸ RORB Q92753 11/20 0.50
▸ MPL P40238 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ PARP1 P09874 1/20 0.43
▸ SCN9A Q15858 2/20 0.43
▸ RORC P51449 1/20 0.43
▸ LIMK1 P53667 1/20 0.43

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
SCHEMBL20299243 0.79 BTK (0.54) CDC7DBF4CCNE1CDK2ALDH1A1
SCHEMBL2489836 0.78 MYC (0.51) CDC7DBF4CCNE1CDK2RORB
SCHEMBL23364821 0.77 MPL (0.55) CDC7DBF4CCNE1CDK2RORB
SCHEMBL29932816 0.77 MPL (0.55) CDC7DBF4CCNE1CDK2RORB
SCHEMBL27857887 0.76 CDC7 (0.53) CDC7DBF4CCNE1CDK2RORB
SCHEMBL2491719 0.74 MYC (0.52) CDC7DBF4CCNE1CDK2RORB
SCHEMBL2521905 0.74 ALDH1A1 (0.62) CDC7DBF4CCNE1CDK2RORB
SCHEMBL23911667 0.73 MPL (0.51) CDC7DBF4CCNE1CDK2RORB
SCHEMBL2492021 0.73 RORB (0.69) RORBALDH1A1PARP1RORC
SCHEMBL4911195 0.73 HSP90AB1 (0.56) CDC7DBF4CCNE1CDK2MPL

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102256972-A Thiazolyl-benzimidazoles HOFFMANN LA ROCHE 2011-11-23 — — CN disclosed
EP-2379543-A2 THIAZOLYL-BENZIMIDAZOLES F. Hoffmann-La Roche AG (CH) 2011-10-26 — — EP disclosed
US-8044213-B2 Thiazolyl-benzimidazoles HOFFMANN-LA ROCHE INC. (US) 2011-10-25 — — US disclosed
US-8044213-B2 Thiazolyl-benzimidazoles HOFFMANN-LA ROCHE INC. (US) 2011-10-25 — — US disclosed
US-8044213-B2 Thiazolyl-benzimidazoles HOFFMANN-LA ROCHE INC. (US) 2011-10-25 — — US disclosed
WO-2010121675-A2 THIAZOLYL-BENZIMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2010-10-28 — — WO disclosed
WO-2010121675-A2 THIAZOLYL-BENZIMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2010-10-28 — — WO disclosed
US-20100160308-A1 Thiazolyl-Benzimidazoles CAI JIANPING 2010-06-24 — — US disclosed
US-20100160308-A1 Thiazolyl-Benzimidazoles CAI JIANPING 2010-06-24 — — US disclosed
US-20100160308-A1 Thiazolyl-Benzimidazoles CAI JIANPING 2010-06-24 — — US 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 (1 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-20100160308-A1 Thiazolyl-Benzimidazoles CYP3A7, CYP2C19, CYP3A5 CDC7 3584/4885DBF4 824/4885CCNE1 2233/4885

“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.

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