SCHEMBL2810075

SCHEMBL2810075

Nc1nc2cc(CCNC(=O)c3csc(C4CCN(C(=O)OCc5ccc(Cl)cc5)CC4)n3)ccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 11/20 0.42
SLC40A1 Q9NP59 3/20 0.37
KLKB1 P03952 1/20 0.37
GRIN2B Q13224 2/20 0.36
TRPC3 Q13507 1/20 0.36
TRPC7 Q9HCX4 1/20 0.36
ATXN2 Q99700 1/20 0.36

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
SCHEMBL16927744 0.90 SLC40A1 (0.36) ENPP2SLC40A1KLKB1
SCHEMBL16927720 0.86 SLC40A1 (0.41) SLC40A1KLKB1
SCHEMBL2810078 0.82 TRPC3 (0.37) ENPP2GRIN2BTRPC3TRPC7ATXN2
SCHEMBL2806515 0.79 ENPP2 (0.42) ENPP2GRIN2BTRPC3TRPC7ATXN2
SCHEMBL2809066 0.78 GRIN2B (0.47) ENPP2GRIN2BTRPC3TRPC7
SCHEMBL2806832 0.77 JAK2 (0.44) ENPP2TRPC3TRPC7
SCHEMBL2809050 0.77 ENPP2 (0.43) ENPP2TRPC3TRPC7ATXN2
SCHEMBL2809173 0.76 ENPP2 (0.43) ENPP2
SCHEMBL2809162 0.76 ENPP2 (0.41) ENPP2KLKB1GRIN2BTRPC3TRPC7
SCHEMBL2806643 0.76 ENPP2 (0.43) ENPP2TRPC3TRPC7

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 10 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-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
US-20100240676-A1 THIAZOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-23 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 (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 ENPP2 4652/4885SLC40A1 1143/4885KLKB1 1188/4885

“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.