SCHEMBL626686

SCHEMBL626686

NC(=O)c1sc(Br)nc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CDC7 O00311 5/20 0.34
DBF4 Q9UBU7 4/20 0.34
LIMK1 P53667 7/20 0.33
IKBKB O14920 4/20 0.33
CDK2 P24941 3/20 0.33
PRKACA P17612 3/20 0.33
CHUK O15111 2/20 0.33
DAPK3 O43293 2/20 0.33
PRKD3 O94806 2/20 0.33
MAP4K4 O95819 2/20 0.33
KDR P35968 2/20 0.33
CLK2 P49760 2/20 0.33
CDK5 Q00535 2/20 0.33
ROCK1 Q13464 2/20 0.33
DYRK1A Q13627 2/20 0.33
PIM3 Q86V86 2/20 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
SCHEMBL625723 0.78 ALDH1A1 (0.39) GAACDC7DBF4NPC1RAB9A
SCHEMBL299157 0.77 LMNA (0.45) GAALIMK1IKBKBPRKACACHUK
SCHEMBL20782350 0.73 CDK8 (0.37) GAAALOX15MAPK1HSD17B10CDC7
SCHEMBL13534398 0.71 ALDH1A1 (0.41) GAAALOX15HSD17B10CDC7DBF4
SCHEMBL622999 0.71 HSD17B10 (0.47) GAAALOX15MAPK1HSD17B10NPC1
SCHEMBL622325 0.67 ALDH1A1 (0.51) GAAHSD17B10CDC7DBF4NPC1
SCHEMBL1657195 0.66 HPGD (0.45) GAAALOX15MAPK1HSD17B10NPC1
SCHEMBL2894541 0.64 PDPK1 (0.33) LIMK1IKBKBPRKACACHUKPRKACG
SCHEMBL3223932 0.62 CCNA2 (0.42) CDC7DBF4LIMK1IKBKBCDK2
SCHEMBL241856 0.60 ALDH1A1 (0.61) GAANPC1RAB9AKDM4E

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 37 patents — showing the first 20. 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-20150175563-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARM INC (US) 2015-06-25 US disclosed
US-20150175593-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARM INC (US) 2015-06-25 US disclosed
US-20150175593-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARM INC (US) 2015-06-25 US disclosed
US-20150175593-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARM INC (US) 2015-06-25 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
WO-2010090716-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-08-12 WO disclosed
US-7652044-B2 P-38 inhibitors NOVARTIS A.G. (CH) 2010-01-26 US disclosed
US-20100004298-A1 P-38 INHIBITORS DONG QING 2010-01-07 US disclosed
EP-1635824-B1 5-MEMBERED HETEROCYCLE-BASED P-38 INHIBITORS NOVARTIS AG (CH) 2009-08-19 EP disclosed
EP-1635824-A2 5-MEMBERED HETEROCYCLE-BASED P-38 INHIBITORS Novartis AG (CH) 2006-03-22 EP disclosed
WO-2005000298-A2 5-MEMBERED HETEROCYCLE-BASED P-38 INHIBITORS NOVARTIS AG (CH) 2005-01-06 WO disclosed
US-20040254236-A1 P-38 inhibitors NOVARTIS AG (CH) 2004-12-16 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 (6 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-20150175563-A1 HETEROARYLS AND USES THEREOF PIK3R1, PIK3R2, PIK3R3 GAA 1466/4885ALOX15 400/4885MAPK1 306/4885
US-20100004298-A1 P-38 INHIBITORS MAPK8, MAPK1, MAP3K8 GAA 2702/4885ALOX15 4201/4885MAPK1 2/4885
US-20040254236-A1 P-38 inhibitors MAPK8, MAP3K8, MAPK1 GAA 2596/4885ALOX15 4090/4885MAPK1 3/4885
US-20110003807-A1 Thiazole derivatives MTOR, RICTOR, AKT2 GAA 1418/4885ALOX15 4056/4885MAPK1 38/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 GAA 1693/4885ALOX15 423/4885MAPK1 102/4885
US-20150175593-A1 HETEROARYLS AND USES THEREOF PIK3R1, PIK3R2, PIK3R3 GAA 1279/4885ALOX15 227/4885MAPK1 440/4885

“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.