SCHEMBL955028

SCHEMBL955028

CCOc1nc(-c2ccnc(NC(=O)c3cccc(OC)c3)c2)sc1-c1nnc[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.51
PRKCI P41743 1/20 0.43
SMN1; SMN2 Q16637 6/20 0.42
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
TP53 P04637 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPT P10636 2/20 0.42
IKBKB O14920 1/20 0.41
MAPK13 O15264 1/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
EGFR P00533 1/20 0.41

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
SCHEMBL954271 0.91 MAPK14 (0.51) MAPK14SMN1; SMN2NPC1RAB9ATP53
SCHEMBL16937960 0.90 MAPK14 (0.51) MAPK14SMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL954181 0.90 MAPK14 (0.44) MAPK14SMN1; SMN2NPC1RAB9ATP53
SCHEMBL952504 0.87 MAPK14 (0.42) MAPK14SMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL16937962 0.86 MAPK14 (0.47) MAPK14SMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL952332 0.85 MAPK14 (0.48) MAPK14SMN1; SMN2NPC1RAB9AMAPK13
SCHEMBL954376 0.85 MAPK14 (0.42) MAPK14SMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL954656 0.85 GSK3B (0.40) MAPK14NPC1RAB9AMAPK1KDM4E
SCHEMBL953971 0.84 MAPT (0.41) MAPK14SMN1; SMN2NPC1RAB9AMAPK1
SCHEMBL953912 0.84 MAPK14 (0.42) MAPK14GSK3B

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 102/4885PRKCI 384/4885SMN1; SMN2 3758/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 MAPK14 899/4885PRKCI 1427/4885SMN1; SMN2 3959/4885

“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.