SCHEMBL1300461

SCHEMBL1300461

Cn1cc(-c2ccc3sc(=O)n(Cc4cccc(-c5ncc(OCCN6CCOCC6)cn5)c4)c3c2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 5/20 0.49
▸ IRAK4 Q9NWZ3 3/20 0.43
▸ IRAK1 P51617 2/20 0.43
▸ KDR P35968 2/20 0.39
▸ PRKAB2 O43741 2/20 0.38
▸ PRKAG1 P54619 2/20 0.38
▸ PRKAA2 P54646 2/20 0.38
▸ PRKAA1 Q13131 2/20 0.38
▸ PRKAG3 Q9UGI9 2/20 0.38
▸ PRKAG2 Q9UGJ0 2/20 0.38
▸ PRKAB1 Q9Y478 2/20 0.38
▸ FLT1 P17948 1/20 0.38
▸ FLT4 P35916 1/20 0.38
▸ ACVR1 Q04771 1/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ ROCK1 Q13464 1/20 0.38
▸ NTRK1 P04629 1/20 0.37
▸ CSF1R P07333 1/20 0.37
▸ NTRK2 Q16620 1/20 0.37
▸ CHEK1 O14757 1/20 0.37

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
SCHEMBL12102757 0.89 MET (0.53) METKDRROCK2ROCK1CHEK1
SCHEMBL12102756 0.87 MET (0.65) MET
SCHEMBL1300872 0.87 MET (0.52) METROCK2ROCK1NPC1RAB9A
SCHEMBL1301458 0.87 MET (0.52) METGSK3B
SCHEMBL1300839 0.85 MET (0.50) METROCK2ROCK1
SCHEMBL1300549 0.82 MET (0.50) METROCK2ROCK1FLT3
SCHEMBL1951931 0.81 MET (0.51) METIRAK4IRAK1KDRPRKAB2
SCHEMBL1301108 0.81 SIGMAR1 (0.51) METROCK2ROCK1
Emd-1204831 SCHEMBL2350245 0.78 MET (0.75) MET
Phosphoric Acid SCHEMBL2354953 0.75 MET (0.53) METIRAK4IRAK1KDRROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8877751-B2 Benzothiazolone derivatives MERCK PATENT GMBH (DE) 2014-11-04 — — US claimed
US-20110269756-A1 BENZOTHIAZOLONE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-11-03 — — US claimed
US-8877751-B2 Benzothiazolone derivatives MERCK PATENT GMBH (DE) 2014-11-04 — — US disclosed
US-8877751-B2 Benzothiazolone derivatives MERCK PATENT GMBH (DE) 2014-11-04 — — US disclosed
US-8877751-B2 Benzothiazolone derivatives MERCK PATENT GMBH (DE) 2014-11-04 — — US disclosed
US-20110269756-A1 BENZOTHIAZOLONE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-11-03 — — US disclosed
US-20110269756-A1 BENZOTHIAZOLONE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-11-03 — — US disclosed
US-20110269756-A1 BENZOTHIAZOLONE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-11-03 — — US disclosed
EP-2373635-A1 BENZOTHIAZOLONE DERIVATIVE Merck Patent GmbH (DE) 2011-10-12 — — EP disclosed
WO-2010078905-A1 BENZOTHIAZOLONE DERIVATIVE MERCK PATENT GMBH (DE) 2010-07-15 — — 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-20110269756-A1 BENZOTHIAZOLONE DERIVATIVES RET, JAK2, MET MET 3/4885IRAK4 272/4885IRAK1 175/4885

“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.

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