SCHEMBL1300735

SCHEMBL1300735

OCc1cccc(-c2ncc(OCCN3CCOCC3)cn2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 2/20 0.56
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
LTA4H P09960 1/20 0.50
ROCK2 O75116 1/20 0.48
ROCK1 Q13464 1/20 0.48
KDM4E B2RXH2 3/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
PIK3CA P42336 3/20 0.47
PIK3CD O00329 2/20 0.47
MTOR P42345 2/20 0.47
PIK3CG P48736 1/20 0.47
KDR P35968 2/20 0.46
PRKAB2 O43741 1/20 0.45
FLT1 P17948 1/20 0.45
FLT4 P35916 1/20 0.45
PRKAG1 P54619 1/20 0.45
PRKAA2 P54646 1/20 0.45
ACVR1 Q04771 1/20 0.45

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
SCHEMBL1579381 0.89 MET (0.56) METNPC1RAB9ALTA4HROCK2
SCHEMBL1579491 0.89 MET (0.56) METNPC1RAB9ALTA4HROCK2
SCHEMBL13285063 0.88 BACE1 (0.53) LTA4HKDM4EALDH1A1
Hydrochloric Acid SCHEMBL1300413 0.88 MET (0.56) METNPC1RAB9ALTA4HROCK2
SCHEMBL3645465 0.83 KDM4E (0.62) NPC1RAB9ALTA4HROCK2ROCK1
SCHEMBL1579387 0.81 MET (0.50) METNPC1RAB9ALTA4HROCK2
SCHEMBL1300389 0.81 KDR (0.55) METNPC1RAB9AROCK2ROCK1
SCHEMBL13285374 0.80 AURKB (0.53) METROCK2ROCK1KDM4ETP53
SCHEMBL13285507 0.80 MET (0.49) METNPC1RAB9ALTA4HROCK2
SCHEMBL1951169 0.79 MET (0.57) METNPC1RAB9ALTA4HSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2310013-B1 BICYCLIC TRIAZOLE DERIVATIVES FOR TREATING TUMORS MERCK PATENT GMBH (DE) 2017-08-23 EP disclosed
EP-2310013-B1 BICYCLIC TRIAZOLE DERIVATIVES FOR TREATING TUMORS MERCK PATENT GMBH (DE) 2017-08-23 EP 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-8877751-B2 Benzothiazolone derivatives MERCK PATENT GMBH (DE) 2014-11-04 US disclosed
US-8435986-B2 Bicyclic traizole derivatives for treating of tumors MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-05-07 US disclosed
US-8435986-B2 Bicyclic traizole derivatives for treating of tumors MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-05-07 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
US-20110135600-A1 BICYCLIC TRAIZOLE DERIVATIVES FOR TREATING OF TUMORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG 2011-06-09 US disclosed
US-20110135600-A1 BICYCLIC TRAIZOLE DERIVATIVES FOR TREATING OF TUMORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG 2011-06-09 US disclosed
US-20110135600-A1 BICYCLIC TRAIZOLE DERIVATIVES FOR TREATING OF TUMORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG 2011-06-09 US disclosed
EP-2310013-A1 BICYCLIC TRIAZOLE DERIVATIVES FOR TREATING TUMORS Merck Patent GmbH (DE) 2011-04-20 EP disclosed
WO-2010078905-A1 BENZOTHIAZOLONE DERIVATIVE MERCK PATENT GMBH (DE) 2010-07-15 WO disclosed
WO-2010017870-A1 BICYCLIC TRIAZOLE DERIVATIVES FOR TREATING TUMORS MERCK PATENT GMBH (DE) 2010-02-18 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 (2 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 3/4885NPC1 4355/4885RAB9A 3168/4885
US-20110135600-A1 BICYCLIC TRAIZOLE DERIVATIVES FOR TREATING OF TUMORS RET, BMX, ERBB2 MET 11/4885NPC1 4576/4885RAB9A 3088/4885

“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.