SCHEMBL951855

SCHEMBL951855

COC(=O)c1sc(-c2c(C)nn3ccccc23)nc1-c1c(F)cccc1OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
F2RL3 Q96RI0 1/20 0.36
MAPT P10636 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CTSA P10619 2/20 0.34
MAP4K1 Q92918 2/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
HPGD P15428 1/20 0.33
POLQ O75417 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
SCHEMBL957443 0.93 TSHR (0.39) TSHRMAPK1MAPTNPC1RAB9A
SCHEMBL953824 0.93 NPC1 (0.37) F2RL3MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL953922 0.92 MAP4K1 (0.36) F2RL3SMN1; SMN2IRAK4CTSAMAP4K1
SCHEMBL953230 0.91 LMNA (0.39) TSHRMAPK1MAPTNPC1RAB9A
SCHEMBL955283 0.91 CDC7 (0.36) F2RL3IRAK4TP53MEN1KMT2A
SCHEMBL953252 0.89 ALDH1A1 (0.38) TSHRMAPK1MAPTNPC1RAB9A
SCHEMBL953569 0.89 KMT2A (0.39) TSHRMAPK1MAPTNPC1RAB9A
SCHEMBL958092 0.86 TRPM8 (0.38) TSHRMAPK1MAPTNPC1RAB9A
SCHEMBL956093 0.85 SMN1; SMN2 (0.38) MAPTSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL953764 0.84 PLK1 (0.37) TSHRMAPK1MAPTLMNAMEN1

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 TSHR 1608/4885MAPK1 38/4885F2RL3 4796/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 TSHR 2433/4885MAPK1 102/4885F2RL3 2057/4885

“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.