SCHEMBL2809066

SCHEMBL2809066

O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1csc(C2CCN(C(=O)OCc3ccc(Cl)cc3)CC2)n1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 4/20 0.47
GRIN2D O15399 3/20 0.47
GRIN3B O60391 3/20 0.47
GRIN1 Q05586 3/20 0.47
GRIN2A Q12879 3/20 0.47
GRIN2C Q14957 3/20 0.47
GRIN3A Q8TCU5 3/20 0.47
ENPP2 Q13822 10/20 0.45
TRPC3 Q13507 1/20 0.42
TRPC7 Q9HCX4 1/20 0.42
USP30 Q70CQ3 1/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL2814527 0.88 GRIN2D (0.49) GRIN2BGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2806643 0.87 ENPP2 (0.43) ENPP2TRPC3TRPC7USP30LMNA
SCHEMBL2806832 0.87 JAK2 (0.44) ENPP2TRPC3TRPC7USP30
SCHEMBL2805845 0.87 ROCK2 (0.48) ENPP2
SCHEMBL2809050 0.86 ENPP2 (0.43) ENPP2TRPC3TRPC7USP30LMNA
SCHEMBL2806515 0.85 ENPP2 (0.42) GRIN2BENPP2TRPC3TRPC7USP30
SCHEMBL16927733 0.83 GRIN2D (0.45) GRIN2BGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2806611 0.82 ENPP2 (0.55) GRIN2BGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2805836 0.81 ENPP2 (0.45) ENPP2
SCHEMBL2810110 0.81 ENPP2 (0.47) GRIN2BGRIN2DGRIN3BGRIN1GRIN2A

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 GRIN2B 320/4885GRIN2D 451/4885GRIN3B 1340/4885

“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.