SCHEMBL953971

SCHEMBL953971

CCOc1nc(-c2ccnc(NC(=O)c3ccc(N(C)C)cc3)c2)sc1-c1nnc[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
MAPK14 Q16539 11/20 0.40
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
IKBKE Q14164 1/20 0.40
TBK1 Q9UHD2 1/20 0.40
GSK3B P49841 4/20 0.38
IKBKB O14920 1/20 0.37
MAPK13 O15264 1/20 0.37
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 1/20 0.37
EGFR P00533 1/20 0.37
MAPK1 P28482 1/20 0.37
FLT4 P35916 1/20 0.37
KDR P35968 1/20 0.37
FRK P42685 1/20 0.37
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37

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
SCHEMBL16937962 0.91 MAPK14 (0.47) MAPTMAPK14NPC1PKMRAB9A
SCHEMBL952332 0.90 MAPK14 (0.48) MAPK14NPC1PKMRAB9ASMN1; SMN2
SCHEMBL952504 0.90 MAPK14 (0.42) MAPTMAPK14NPC1PKMRAB9A
SCHEMBL16937960 0.90 MAPK14 (0.51) MAPK14NPC1PKMRAB9ASMN1; SMN2
SCHEMBL954271 0.89 MAPK14 (0.51) MAPTMAPK14NPC1PKMRAB9A
SCHEMBL953912 0.85 MAPK14 (0.42) MAPK14GSK3B
SCHEMBL954376 0.85 MAPK14 (0.42) MAPTMAPK14NPC1PKMRAB9A
SCHEMBL954181 0.85 MAPK14 (0.44) MAPK14NPC1RAB9ASMN1; SMN2IKBKB
SCHEMBL955028 0.84 MAPK14 (0.51) MAPTMAPK14NPC1RAB9ASMN1; SMN2
SCHEMBL955284 0.84 GSK3B (0.41) MAPTMAPK14NPC1PKMRAB9A

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 MAPT 2049/4885MAPK14 102/4885NPC1 458/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 MAPT 4530/4885MAPK14 899/4885NPC1 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.