SCHEMBL2808900

SCHEMBL2808900

O=C(Nc1ccc2[nH]nnc2c1)c1csc(C2CCN(C(=O)OCc3ccc(Cl)cc3Cl)CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 10/20 0.41
ATXN2 Q99700 1/20 0.39
PPARG P37231 1/20 0.38
CBLB Q13191 1/20 0.35
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
EPHX2 P34913 1/20 0.34
CYP2J2 P51589 1/20 0.34
KMT2A Q03164 1/20 0.34
GRIN2B Q13224 1/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
FAAH O00519 1/20 0.34
TP53 P04637 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34

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
SCHEMBL2809050 0.90 ENPP2 (0.43) ENPP2ATXN2KMT2ALMNAMAPT
SCHEMBL2806581 0.84 GRIN2D (0.46) ENPP2ATXN2GRIN2B
SCHEMBL2809956 0.84 ALOX12 (0.39) ENPP2ATXN2PPARGCBLBKMT2A
SCHEMBL2809666 0.83 LMNA (0.42) CYP2C9CYP2C19KMT2ALMNAMAPT
SCHEMBL16927758 0.82 NFKB1 (0.40) PPARGCBLBMAPTHTTFAAH
SCHEMBL2810198 0.81 MAPT (0.44) KMT2ALMNAMAPTTP53
SCHEMBL16927759 0.78 NFKB1 (0.39) CBLBMAPTHTT
SCHEMBL2810125 0.78 ENPP2 (0.41) ENPP2ATXN2GRIN2BFAAH
SCHEMBL2810491 0.78 ENPP2 (0.46) ENPP2
SCHEMBL2805845 0.78 ROCK2 (0.48) ENPP2ROCK2ROCK1

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 3 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

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 4652/4885ATXN2 2204/4885PPARG 454/4885

“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.