SCHEMBL2807759

SCHEMBL2807759

O=C(Nc1ccc2[nH]nnc2c1)c1csc(N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)n1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.44
POLB P06746 4/20 0.44
PI4KB Q9UBF8 1/20 0.42
LMNA P02545 5/20 0.41
MAPK1 P28482 3/20 0.41
ENPP2 Q13822 4/20 0.41
MAPT P10636 6/20 0.40
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.40
GAA P10253 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
HTT P42858 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
SCHEMBL16927719 0.89 MCHR1 (0.43) MCHR1POLBPI4KBLMNAMAPK1
SCHEMBL2814303 0.88 MAPT (0.41) LMNAMAPK1MAPTKMT2AALDH1A1
SCHEMBL2810198 0.86 MAPT (0.44) MCHR1POLBLMNAMAPTKMT2A
SCHEMBL2805530 0.84 MAPT (0.46) POLBLMNAMAPK1ENPP2MAPT
SCHEMBL16927718 0.83 CLK1 (0.40) MAPT
SCHEMBL2805505 0.82 LMNA (0.43) LMNAENPP2MAPTNPSR1
SCHEMBL13129753 0.80 NAMPT (0.46) MAPTKMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL13129750 0.80 CHEK1 (0.51)
SCHEMBL2809858 0.78 ENPP2 (0.43) LMNAMAPK1ENPP2MAPTALDH1A1
SCHEMBL2811498 0.78 MAPT (0.42) LMNAMAPK1MAPTKMT2AALDH1A1

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 MCHR1 2362/4885POLB 2535/4885PI4KB 3290/4885

“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.