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SCHEMBL955503

SCHEMBL955503

CCOc1cccc(F)c1-c1nc(-c2c(C)nn3ccccc23)sc1C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 2/20 0.36
▸ DBF4 Q9UBU7 2/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ PLK1 P53350 3/20 0.35
▸ HCRTR1 O43613 2/20 0.35
▸ HCRTR2 O43614 2/20 0.35
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ PDE10A Q9Y233 1/20 0.33
▸ STING1 Q86WV6 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL954286 0.92 NPC1 (0.34) CDC7DBF4ALDH1A1HCRTR1HCRTR2
SCHEMBL953230 0.91 LMNA (0.39) CDC7DBF4ALDH1A1MAPTNPSR1
SCHEMBL955283 0.90 CDC7 (0.36) CDC7DBF4ALDH1A1PLK1KDM4E
SCHEMBL955010 0.89 CDC7 (0.40) CDC7DBF4CYP1A2CYP3A4CYP2C19
SCHEMBL951314 0.85 CDC7 (0.37) CDC7DBF4ALDH1A1MAPTNPSR1
SCHEMBL953764 0.84 PLK1 (0.37) CDC7DBF4ALDH1A1CYP1A2CYP3A4
SCHEMBL956417 0.82 CDC7 (0.51) CDC7DBF4CYP1A2CYP3A4CYP2C19
SCHEMBL953497 0.82 CDC7 (0.39) CDC7DBF4ALDH1A1CYP1A2CYP3A4
SCHEMBL953922 0.82 MAP4K1 (0.36) SMN1; SMN2
SCHEMBL955337 0.82 CDC7 (0.46) CDC7DBF4CYP1A2CYP3A4CYP2C19

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 3288/4885ALDH1A1 1687/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 CDC7 1063/4885DBF4 3779/4885ALDH1A1 728/4885

“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.