SCHEMBL504815

SCHEMBL504815

Nc1ncc(OCc2ccccc2)cn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.60
MAOA P21397 2/20 0.60
MAPT P10636 2/20 0.60
GAA P10253 2/20 0.60
RAB9A P51151 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
DHFR P00374 1/20 0.54
P4HTM Q9NXG6 1/20 0.53
LMNA P02545 1/20 0.52
CYP1A2 P05177 1/20 0.52
PTGS1 P23219 1/20 0.52
SLC6A2 P23975 1/20 0.52
CYP2C19 P33261 1/20 0.52
PTGS2 P35354 1/20 0.52
SLC6A3 Q01959 1/20 0.52
HIF1A Q16665 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
KDM1A O60341 1/20 0.51
NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL30362841 0.81 MAOB (0.61) MAOBMAOAMAPTGAARAB9A
SCHEMBL2648020 0.81 MAOB (0.61) MAOBMAOAMAPTGAARAB9A
SCHEMBL6816900 0.80 MAOB (0.59) MAOBMAOAMAPTDHFRNPSR1
SCHEMBL457443 0.80 P4HTM (0.53) MAOBMAOAMAPTGAARAB9A
SCHEMBL14067178 0.80 LMNA (0.62) MAOBMAOAMAPTGAARAB9A
SCHEMBL18297527 0.80 MAOB (0.55) MAOBMAOAMAPTGAARAB9A
SCHEMBL1713718 0.80 P4HTM (0.53) MAOBMAOAMAPTGAARAB9A
Hydrochloric Acid SCHEMBL1330115 0.79 MAOB (0.59) MAOBMAOAMAPTGAARAB9A
SCHEMBL28646599 0.78 RAB9A (0.52) MAOBMAOAMAPTGAARAB9A
SCHEMBL875608 0.78 LMNA (0.53) MAOBMAOAMAPTGAARAB9A

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023009708-A1 HETEROARYLOXY TRIAZOLO- AND IMIDAZO-AZINES AS JAK2 INHIBITORS AJAX THERAPEUTICS, INC. (US) 2023-02-02 WO disclosed
CN-105431149-B Neuroprotective multifunctional antioxidants and their monofunctional analogs 彼得·F·卡罗 2019-06-11 CN disclosed
EP-2956140-B1 NEUROPROTECTIVE MULTIFUNCTIONAL ANTIOXIDANTS AND THEIR MONOFUNCTIONAL ANALOGS KADOR PETER F (US) 2018-07-11 EP disclosed
CN-105431149-A Neuroprotective multifunctional antioxidants and their monofunctional analogs KADOR PETER F 2016-03-23 CN disclosed
EP-2760843-B1 SELECTIVE NR2B ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2016-03-02 EP disclosed
EP-2760843-B1 SELECTIVE NR2B ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2016-03-02 EP disclosed
EP-2956140-A1 NEUROPROTECTIVE MULTIFUNCTIONAL ANTIOXIDANTS AND THEIR MONOFUNCTIONAL ANALOGS Kador, Peter F. (US) 2015-12-23 EP disclosed
EP-2149563-B9 NOVEL PYRIMIDINE COMPOUND HAVING DIBENZYLAMINE STRUCTURE, AND MEDICINE COMPRISING THE COMPOUND KOWA CO (JP) 2015-04-22 EP disclosed
EP-2149563-B1 NOVEL PYRIMIDINE COMPOUND HAVING DIBENZYLAMINE STRUCTURE, AND MEDICINE COMPRISING THE COMPOUND KOWA CO (JP) 2015-01-07 EP disclosed
US-8877766-B2 Neuroprotective multifunctional antioxidants and their monofunctional analogs BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA 2014-11-04 US disclosed
US-20100249148-A1 NOVEL PYRIMIDINE COMPOUNDS HAVING BENZYL (HETEROCYCLIC METHYL) AMINE STRUCTURE AND MEDICAMENT COMPRISING THE SAME KOWA COMPANY, LTD. (JP) 2010-09-30 US disclosed
US-7790737-B2 Substituted pyrimidine compounds and their utility as CETP inhibitors KOWA COMPANY, LTD. (JP) 2010-09-07 US disclosed
CN-101679309-A Novel pyrimidine compound having dibenzylamine structure, and medicine comprising the compound KOWA CO 2010-03-24 CN disclosed
CN-101679363-A Novel pyrimidine compound having benzyl(heterocyclicmethyl)amine structure and pharmaceutical product containing the same KOWA CO 2010-03-24 CN disclosed
US-7659271-B2 Pyrimidine compound having dibenzylamine structure and medicament comprising the same KOWA COMPANY, LTD. (JP) 2010-02-09 US disclosed
EP-2149563-A1 NOVEL PYRIMIDINE COMPOUND HAVING DIBENZYLAMINE STRUCTURE, AND MEDICINE COMPRISING THE COMPOUND Kowa Company. Ltd. (JP) 2010-02-03 EP disclosed
EP-2138489-A1 NOVEL PYRIMIDINE COMPOUND HAVING BENZYL(HETEROCYCLICMETHYL)AMINE STRUCTURE AND PHARMACEUTICAL PRODUCT CONTAINING THE SAME Kowa Company. Ltd. (JP) 2009-12-30 EP disclosed
US-20090105269-A1 Multifunctional Compounds and Methods of Use Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-04-23 US disclosed
US-20090082352-A1 N-{1-[3,5-bis(trifluoromethyl)phenyl]ethyl}-N-({2-[(cyclopentylmethyl)(ethyl)amino]-5-(trifluoromethyl)phenyl}methyl)-5-[2-(methylthio)ethoxy]pyrimidin-2-amine; inhibitory activity on cholesterol ester transfer protein (CETP) KOWA COMPANY, LTD. (JP) 2009-03-26 US disclosed
US-20090062306-A1 NOVEL PYRIMIDINE COMPOUNDS HAVING BENZYL (HETEROCYCLIC METHYL) AMINE STRUCTURE AND MEDICAMENT COMPRISING THE SAME KOWA COMPANY, LTD. (JP) 2009-03-05 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 (4 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-20090082352-A1 N-{1-[3,5-bis(trifluoromethyl)phenyl]ethyl}-N-({2-[(cyclopentylmethyl)(ethyl)amino]-5-(trifluoromethyl)phenyl}methyl)-5-[2-(methylthio)ethoxy]pyrimidin-2-amine; inhibitory activity on cholesterol ester transfer protein (CETP) CETP, NPC1L1, MTTP MAOB 4298/4885MAOA 4567/4885MAPT 3761/4885
US-20100249148-A1 NOVEL PYRIMIDINE COMPOUNDS HAVING BENZYL (HETEROCYCLIC METHYL) AMINE STRUCTURE AND MEDICAMENT COMPRISING THE SAME CETP, MTTP, NPC1L1 MAOB 2649/4885MAOA 3454/4885MAPT 3936/4885
US-20090062306-A1 NOVEL PYRIMIDINE COMPOUNDS HAVING BENZYL (HETEROCYCLIC METHYL) AMINE STRUCTURE AND MEDICAMENT COMPRISING THE SAME CETP, MTTP, NPC1L1 MAOB 2649/4885MAOA 3454/4885MAPT 3936/4885
US-20090105269-A1 Multifunctional Compounds and Methods of Use Thereof AS3MT, OAT, NCL MAOB 221/4885MAOA 378/4885MAPT 3475/4885

“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.