SCHEMBL2807885

SCHEMBL2807885

Nc1n[nH]c2ccc(NC(=O)c3csc(C4CCN(C(=O)CCc5ccc(C(F)(F)F)cc5)CC4)n3)cc12

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.40
MCHR1 Q99705 11/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
ULK1 O75385 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
GSK3B P49841 1/20 0.38

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
SCHEMBL27789777 0.88 ULK1 (0.43) JAK2JAK1ULK1
SCHEMBL16927747 0.88 MCHR1 (0.40) ENPP2MCHR1ULK1
SCHEMBL13129759 0.88 MCHR1 (0.44) ENPP2MCHR1ROCK2ROCK1LMNA
SCHEMBL2806616 0.86 MCHR1 (0.41) ENPP2MCHR1LMNAMAPTMAPK1
SCHEMBL13129757 0.85 MCHR1 (0.43) ENPP2MCHR1LMNAMAPTMAPK1
SCHEMBL13129758 0.84 ENPP2 (0.46) ENPP2MCHR1
SCHEMBL16927752 0.82 JAK2 (0.49) JAK2JAK1ROCK2ULK1
SCHEMBL2810569 0.82 MEN1 (0.47) MCHR1LMNAMAPTMAPK1
SCHEMBL2806832 0.79 JAK2 (0.44) ENPP2JAK2JAK1ULK1
SCHEMBL13129773 0.78 ENPP2 (0.41) ENPP2MAPT

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 5 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
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

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 4652/4885MCHR1 2362/4885JAK2 100/4885

“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.