SCHEMBL167136

SCHEMBL167136

COC(=O)c1cc(Cl)sc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
KDM4E B2RXH2 3/20 0.44
HPGD P15428 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ABL1 P00519 1/20 0.43
DAO P14920 1/20 0.42
GAA P10253 2/20 0.41
POLB P06746 1/20 0.40
SERPINH1 P50454 1/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
GSK3B P49841 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK4 Q16654 1/20 0.39
NR4A2 P43354 2/20 0.38
MEN1 O00255 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
SCHEMBL844402 0.82 DAO (0.59) MAPTKDM4EHPGDL3MBTL1ABL1
SCHEMBL8630776 0.81 GAA (0.49) MAPTKDM4EHPGDL3MBTL1GAA
SCHEMBL28175472 0.81 MAPT (0.44) MAPTKDM4EHPGDL3MBTL1ABL1
SCHEMBL13748344 0.80 SMN1; SMN2 (0.49) MAPTKDM4EHPGDGAACA12
SCHEMBL26281504 0.79 ABL1 (0.42) MAPTKDM4EHPGDL3MBTL1ABL1
SCHEMBL11581298 0.79 GAA (0.55) MAPTKDM4EHPGDL3MBTL1ABL1
SCHEMBL23151886 0.78 MAPT (0.47) MAPTKDM4EHPGDL3MBTL1DAO
SCHEMBL8174209 0.78 DAO (0.63) MAPTKDM4EHPGDL3MBTL1DAO
SCHEMBL8630210 0.78 DAO (0.47) MAPTKDM4EHPGDL3MBTL1DAO
SCHEMBL168008 0.77 MAPT (0.40) MAPTKDM4EHPGDABL1GAA

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130158076-A1 Methylene Urea Derivatives MERCK PATENT GMBH (DE) 2013-06-20 US disclosed
US-20130158076-A1 Methylene Urea Derivatives MERCK PATENT GMBH (DE) 2013-06-20 US disclosed
US-8410143-B2 Methylene urea derivatives MERCK PATENT GMBH (DE) 2013-04-02 US disclosed
US-8410143-B2 Methylene urea derivatives MERCK PATENT GMBH (DE) 2013-04-02 US disclosed
EP-2426122-A1 Methylene urea derivative as RAF kinasse inhibitors Merck Patent GmbH (DE) 2012-03-07 EP disclosed
US-20090298885-A1 METHYLENE UREA DERIVATIVES MERCK PATENT GMBH (DE) 2009-12-03 US disclosed
US-20090298885-A1 METHYLENE UREA DERIVATIVES MERCK PATENT GMBH (DE) 2009-12-03 US disclosed
US-20090253688-A1 Semicarbazide derivatives as kinase inhibitors MERCK PATENT GMBH (DE) 2009-10-08 US disclosed
US-20090253688-A1 Semicarbazide derivatives as kinase inhibitors MERCK PATENT GMBH (DE) 2009-10-08 US disclosed
US-7589112-B2 Methylene urea derivatives MERCK PATENT GMBH (DE) 2009-09-15 US disclosed
US-20070191423-A1 Isoquinoline derivatives MERCK PATENT GMBH (DE) 2007-08-16 US disclosed
US-20070191423-A1 Isoquinoline derivatives MERCK PATENT GMBH (DE) 2007-08-16 US disclosed
US-20070191444-A1 Benzimidazolyl derivatives MERCK PATENT GMBH (DE) 2007-08-16 US disclosed
US-20070191444-A1 Benzimidazolyl derivatives MERCK PATENT GMBH (DE) 2007-08-16 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 (5 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-20070191444-A1 Benzimidazolyl derivatives JAK1, MARK1, RAF1 MAPT 3584/4885KDM4E 1022/4885HPGD 3397/4885
US-20090298885-A1 METHYLENE UREA DERIVATIVES BRAF, RAF1, CMPK1 MAPT 758/4885KDM4E 480/4885HPGD 1200/4885
US-20070191423-A1 Isoquinoline derivatives ABL1, MAP3K1, MAP3K2 MAPT 1370/4885KDM4E 1691/4885HPGD 740/4885
US-20130158076-A1 Methylene Urea Derivatives BRAF, RAF1, CMPK1 MAPT 758/4885KDM4E 480/4885HPGD 1200/4885
US-20090253688-A1 Semicarbazide derivatives as kinase inhibitors MAP3K1, MAP3K6, MAP3K2 MAPT 2963/4885KDM4E 1349/4885HPGD 2924/4885

“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.