SCHEMBL2809956

SCHEMBL2809956

Cc1ccc(COC(=O)N2CCC(c3nc(C(=O)Nc4ccc5[nH]nnc5c4)cs3)CC2)cc1C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 1/20 0.39
KMT2A Q03164 4/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
PPARG P37231 1/20 0.36
CBLB Q13191 1/20 0.36
ENPP2 Q13822 8/20 0.36
NPC1 O15118 1/20 0.36
ATXN2 Q99700 1/20 0.36
MEN1 O00255 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
CASP1 P29466 1/20 0.35
ATM Q13315 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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) KMT2ALMNAENPP2ATXN2KDM4E
SCHEMBL2807156 0.84 ENPP2 (0.46) ENPP2ATXN2
SCHEMBL2808900 0.84 ENPP2 (0.41) KMT2ALMNAPPARGCBLBENPP2
SCHEMBL16927758 0.82 NFKB1 (0.40) PPARGCBLBKDM4EALDH1A1MAPT
SCHEMBL2811498 0.79 MAPT (0.42) KMT2ALMNANPC1MEN1KDM4E
SCHEMBL2809972 0.79 ENPP2 (0.43) ENPP2
SCHEMBL2809666 0.78 LMNA (0.42) KMT2ALMNANPC1MEN1KDM4E
SCHEMBL16927759 0.78 NFKB1 (0.39) CBLBKDM4EALDH1A1MAPT
SCHEMBL2810125 0.78 ENPP2 (0.41) ENPP2ATXN2
SCHEMBL2810491 0.78 ENPP2 (0.46) ENPP2

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 ALOX12 4545/4885KMT2A 2863/4885LMNA 1974/4885

“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.