SCHEMBL2806832

SCHEMBL2806832

Nc1n[nH]c2ccc(NC(=O)c3csc(C4CCN(C(=O)OCc5ccc(Cl)cc5)CC4)n3)cc12

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.44
JAK1 P23458 5/20 0.44
CCNC P24863 1/20 0.44
CDK8 P49336 1/20 0.44
ENPP2 Q13822 9/20 0.43
FLT3 P36888 1/20 0.41
ULK1 O75385 2/20 0.40
USP30 Q70CQ3 1/20 0.40
TRPC3 Q13507 1/20 0.39
TRPC7 Q9HCX4 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
SCHEMBL2806643 0.94 ENPP2 (0.43) JAK2JAK1CCNCCDK8ENPP2
SCHEMBL16927714 0.90 JAK2 (0.43) JAK2JAK1CCNCCDK8ULK1
SCHEMBL2805836 0.89 ENPP2 (0.45) ENPP2
SCHEMBL2809066 0.87 GRIN2B (0.47) ENPP2USP30TRPC3TRPC7
SCHEMBL2805845 0.86 ROCK2 (0.48) JAK2JAK1ENPP2
SCHEMBL2809050 0.86 ENPP2 (0.43) ENPP2USP30TRPC3TRPC7
SCHEMBL16927752 0.84 JAK2 (0.49) JAK2JAK1CCNCCDK8ULK1
SCHEMBL16927763 0.84 MAPT (0.36) JAK2JAK1CCNCCDK8ENPP2
SCHEMBL2814527 0.83 GRIN2D (0.49) ENPP2
SCHEMBL2806515 0.82 ENPP2 (0.42) ENPP2USP30TRPC3TRPC7

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 8 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

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 JAK2 100/4885JAK1 802/4885CCNC 323/4885

“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.