SCHEMBL2810697

SCHEMBL2810697

O=C(Nc1ccc2[nH]ncc2c1)c1csc(N2CCN(C(=O)OCc3ccc(SC(F)(F)F)cc3)CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK2 P49760 2/20 0.43
DYRK1A Q13627 2/20 0.43
CLK4 Q9HAZ1 2/20 0.43
DYRK3 O43781 1/20 0.43
CLK1 P49759 1/20 0.43
DYRK2 Q92630 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
TRPV1 Q8NER1 12/20 0.42
JAK3 P52333 1/20 0.37
ROCK2 O75116 3/20 0.37
ROCK1 Q13464 2/20 0.37
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 1/20 0.37
RPS6KB1 P23443 1/20 0.37
PRKG1 Q13976 1/20 0.37
PRKD2 Q9BZL6 1/20 0.37
SGK2 Q9HBY8 1/20 0.37
STK17A Q9UEE5 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 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
SCHEMBL2865558 0.89 MAPT (0.37) TRPV1NPC1RAB9A
SCHEMBL2809795 0.88 MAPT (0.35) NPC1RAB9A
SCHEMBL13129755 0.86 MAPT (0.35) NPC1RAB9A
SCHEMBL16927761 0.85 ENPP2 (0.46)
SCHEMBL2810097 0.85 MAPT (0.37) NPC1RAB9A
SCHEMBL2806094 0.83 KEAP1 (0.37) NPC1RAB9A
SCHEMBL16927711 0.79 CLK2 (0.59) CLK2DYRK1ACLK4DYRK3CLK1
SCHEMBL2810678 0.78 ENPP2 (0.40) TRPV1ROCK2ROCK1
SCHEMBL2809858 0.78 ENPP2 (0.43)
SCHEMBL2806745 0.77 MAPT (0.45) NPC1RAB9A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2209777-B1 THIAZOL DERIVATIVES FOR TREATING CANCER MERCK PATENT GMBH (DE) 2015-07-29 EP claimed
US-8557824-B2 Thiazole derivatives MERCK PATENT GMBH (DE) 2013-10-15 US claimed
US-20100240676-A1 THIAZOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-23 US claimed
EP-2209777-B1 THIAZOL DERIVATIVES FOR TREATING CANCER MERCK PATENT GMBH (DE) 2015-07-29 EP disclosed
US-8557824-B2 Thiazole derivatives MERCK PATENT GMBH (DE) 2013-10-15 US disclosed
US-8557824-B2 Thiazole derivatives MERCK PATENT GMBH (DE) 2013-10-15 US disclosed
US-20100240676-A1 THIAZOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-23 US disclosed
US-20100240676-A1 THIAZOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-23 US disclosed
WO-2009046842-A2 THIAZOL DERIVATIVES FOR TREATING CANCER MERCK PATENT GMBH (DE) 2009-04-16 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 (1 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-20100240676-A1 THIAZOLE DERIVATIVES CCNE2, PKD1, PKD2 CLK2 2323/4885DYRK1A 3071/4885CLK4 2472/4885

“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.