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SCHEMBL954286

SCHEMBL954286

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ HCRTR1 O43613 2/20 0.34
▸ HCRTR2 O43614 2/20 0.34
▸ STING1 Q86WV6 1/20 0.33
▸ MGAM O43451 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ SI P14410 1/20 0.33
▸ MGAM2 Q2M2H8 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ CDC7 O00311 2/20 0.33
▸ DBF4 Q9UBU7 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ PDE10A Q9Y233 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32

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
SCHEMBL955503 0.92 CDC7 (0.36) NPC1RAB9AHCRTR1HCRTR2STING1
SCHEMBL953230 0.91 LMNA (0.39) NPC1RAB9ATP53HCRTR1HCRTR2
SCHEMBL953922 0.90 MAP4K1 (0.36) SMN1; SMN2MAP4K1
SCHEMBL953870 0.89 SMN1; SMN2 (0.39) NPC1RAB9AGAASMN1; SMN2CDC7
SCHEMBL952060 0.84 SCN3A (0.39) NPC1RAB9AGAASMN1; SMN2ALDH1A1
SCHEMBL956093 0.83 SMN1; SMN2 (0.38) SMN1; SMN2CDC7DBF4ALDH1A1KDM4E
SCHEMBL955904 0.82 CDC7 (0.40) RAB9AGAASMN1; SMN2CDC7DBF4
SCHEMBL951855 0.82 TSHR (0.36) NPC1RAB9ATP53SMN1; SMN2RXFP1
SCHEMBL955283 0.82 CDC7 (0.36) TP53GAACDC7DBF4ALDH1A1
SCHEMBL958443 0.82 CDC7 (0.36) SMN1; SMN2CDC7DBF4ALDH1A1KDM4E

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 NPC1 458/4885RAB9A 1059/4885TP53 713/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 NPC1 1316/4885RAB9A 668/4885TP53 1415/4885

“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.