SCHEMBL953824

SCHEMBL953824

COC(=O)c1sc(-c2c(C)nn3ccccc23)nc1-c1c(F)cccc1F

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
MAPT P10636 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
F2RL3 Q96RI0 1/20 0.36
HPGD P15428 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.34
PDE4B Q07343 1/20 0.32
PDE4D Q08499 1/20 0.32
CDC7 O00311 1/20 0.32
DBF4 Q9UBU7 1/20 0.32
MGLL Q99685 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
SCHEMBL951855 0.93 TSHR (0.36) NPC1RAB9AMAPTSMN1; SMN2NPSR1
SCHEMBL953252 0.93 ALDH1A1 (0.38) NPC1RAB9AMAPTSMN1; SMN2NPSR1
SCHEMBL953230 0.90 LMNA (0.39) NPC1RAB9AMAPTSMN1; SMN2NPSR1
SCHEMBL958092 0.90 TRPM8 (0.38) NPC1RAB9AMAPTSMN1; SMN2TRPM8
SCHEMBL953870 0.89 SMN1; SMN2 (0.39) NPC1RAB9ASMN1; SMN2NPSR1HPGD
SCHEMBL957443 0.88 TSHR (0.39) NPC1RAB9AMAPTSMN1; SMN2NPSR1
SCHEMBL955010 0.88 CDC7 (0.40) F2RL3MEN1KMT2APDE4BPDE4D
SCHEMBL953628 0.87 TRPM8 (0.42) MAPTTRPM8F2RL3KDM4EALDH1A1
SCHEMBL952522 0.86 CDC7 (0.39) RAB9ATRPM8F2RL3KDM4EALDH1A1
SCHEMBL953922 0.85 MAP4K1 (0.36) SMN1; SMN2F2RL3

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 1059/4885MAPT 2049/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 NPC1 1316/4885RAB9A 668/4885MAPT 4530/4885

“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.