SCHEMBL953922

SCHEMBL953922

COc1cccc(F)c1-c1nc(-c2c(C)nn3ccccc23)sc1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 1/20 0.36
CTSA P10619 5/20 0.36
RORC P51449 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
F2RL3 Q96RI0 1/20 0.34
FABP4 P15090 1/20 0.34
IRAK4 Q9NWZ3 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
SCHEMBL956093 0.93 SMN1; SMN2 (0.38) SMN1; SMN2FABP4
SCHEMBL951855 0.92 TSHR (0.36) MAP4K1CTSASMN1; SMN2F2RL3IRAK4
SCHEMBL955283 0.92 CDC7 (0.36) MAP4K1CTSARORCF2RL3IRAK4
SCHEMBL953870 0.91 SMN1; SMN2 (0.39) RORCSMN1; SMN2
SCHEMBL954286 0.90 NPC1 (0.34) MAP4K1SMN1; SMN2
SCHEMBL953729 0.90 CTSA (0.35) CTSASMN1; SMN2IRAK4
SCHEMBL956374 0.89 KMT2A (0.39) CTSASMN1; SMN2FABP4
SCHEMBL952060 0.87 SCN3A (0.39) RORCSMN1; SMN2
SCHEMBL951780 0.87 HIF1A (0.39) SMN1; SMN2
SCHEMBL953764 0.85 PLK1 (0.37)

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 MAP4K1 232/4885CTSA 4641/4885RORC 505/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 MAP4K1 476/4885CTSA 2410/4885RORC 767/4885

“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.