SCHEMBL953538

SCHEMBL953538

CCOc1nc(-c2ccnc(NC(=O)CCc3ccccc3)c2)sc1-c1nnc[nH]1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.50
RAB9A P51151 2/20 0.41
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CCKBR P32239 1/20 0.40
BUB1 O43683 1/20 0.40
GSK3B P49841 6/20 0.39
HSD17B10 Q99714 2/20 0.39
MAPK8 P45983 1/20 0.39
MAPK10 P53779 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
BCHE P06276 2/20 0.39
ACHE P22303 2/20 0.39

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
SCHEMBL953340 0.93 MAPK14 (0.49) MAPK14RAB9AGSK3BMAPK8MAPK10
SCHEMBL954075 0.90 MAPK14 (0.45) MAPK14RAB9ANPC1SMN1; SMN2GSK3B
SCHEMBL954690 0.88 RXFP1 (0.42) MAPK14SMN1; SMN2BUB1GSK3BHSD17B10
SCHEMBL16937960 0.86 MAPK14 (0.51) MAPK14RAB9ANPC1SMN1; SMN2GSK3B
SCHEMBL957459 0.85 GSK3B (0.41) MAPK14RAB9ANPC1SMN1; SMN2BUB1
SCHEMBL953912 0.85 MAPK14 (0.42) MAPK14GSK3B
SCHEMBL957408 0.85 MAPK8 (0.46) MAPK14RAB9ANPC1SMN1; SMN2HSD17B10
SCHEMBL958342 0.85 GSK3B (0.42) GSK3BMAPK8BCHEACHE
SCHEMBL954376 0.85 MAPK14 (0.42) MAPK14RAB9ANPC1SMN1; SMN2GSK3B
SCHEMBL954194 0.85 GSK3B (0.41) GSK3BMAPK8

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 12 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-9139589-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
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
US-9090601-B2 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
US-9090601-B2 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
US-20110003807-A1 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
US-20110003807-A1 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US 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
US-20110003806-A1 Heteroaryls and uses thereof 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

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 MAPK14 102/4885RAB9A 1059/4885NPC1 458/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 MAPK14 899/4885RAB9A 668/4885NPC1 1316/4885

“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.