SCHEMBL170064

SCHEMBL170064

COc1cnc(SC)nc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
PDE4B Q07343 4/20 0.39
TP53 P04637 1/20 0.36
MAPT P10636 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CCNT1 O60563 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CDK9 P50750 1/20 0.35
CCNA1 P78396 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
ALPL P05186 1/20 0.35

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
SCHEMBL6043168 0.78 KMT2A (0.47) KDM4EMEN1KMT2APDE4BTP53
SCHEMBL12062616 0.78 MEN1 (0.46) KDM4EMEN1KMT2APDE4BMAPT
SCHEMBL28135917 0.77 KDM4E (0.44) KDM4EMEN1KMT2APDE4BTP53
SCHEMBL25911400 0.77 KDM4E (0.44) KDM4EMEN1KMT2ACYP2C19ALDH1A1
SCHEMBL167812 0.77 MAPT (0.56) KDM4EMEN1KMT2APDE4BTP53
SCHEMBL31366357 0.75 ALDH1A1 (0.38) KDM4EKMT2ATP53MAPTALDH1A1
SCHEMBL2148581 0.75 ALDH1A1 (0.38) KDM4EKMT2ATP53MAPTALDH1A1
SCHEMBL3170487 0.75 MEN1 (0.43) KDM4EMEN1KMT2AMAPTTDP1
SCHEMBL16651391 0.75 RIPK1 (0.34) KDM4EMEN1KMT2APDE4B
SCHEMBL5411406 0.74 KDM4E (0.56) KDM4EMEN1KMT2APDE4BCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103269592-B Cyclic amine substituted oxazolidinone CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2016-05-11 CN disclosed
CN-103269592-A Cyclic amine substituted oxazolidinone cetp inhibitor MERCK SHARP & DOHME 2013-08-28 CN disclosed
EP-1979331-B1 TRISUBSTITUTED AMINE COMPOUNDS AS INHIBITORS OF -CHOLESTERYL ESTER TRANSFER PROTEIN CETP MITSUBISHI TANABE PHARMA CORP (JP) 2012-03-07 EP disclosed
US-8076364-B2 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-12-13 US disclosed
US-20110092506-A1 TRISUBSTITUTED AMINE COMPOUND NAKAMURA YOSHINORI 2011-04-21 US disclosed
US-7906517-B2 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-03-15 US disclosed
US-20090029994-A1 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-01-29 US disclosed
US-20090023729-A1 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-01-22 US disclosed
US-7452896-B2 Pyrimidine-sulfamides and their use as endothelian receptor antagonist ACTELION PHARMACEUTICALS LTD. (CH) 2008-11-18 US disclosed
US-7452896-B2 Pyrimidine-sulfamides and their use as endothelian receptor antagonist ACTELION PHARMACEUTICALS LTD. (CH) 2008-11-18 US disclosed
US-7323465-B2 Alkansulfonamides as endothelin antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2008-01-29 US disclosed
WO-2007088996-A1 TRISUBSTITUTED AMINE COMPOUNDS AS INHIBITORS OF -CHOLESTERYL ESTER TRANSFER PROTEIN CETP MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-08-09 WO disclosed
WO-2007088999-A1 TRISUBSTITUTED AMINE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-08-09 WO disclosed
US-20070167472-A1 2-Methoxy-ethanesulfamic acid [6-[2-(5-bromo-pyrimidin-2-yloxy)-ethoxy]-5-(2-chloro-5-methoxy-phenoxy)-pyrimidin-4-yl]-amide; vasoconstrictor, mediator of cardiac, renal, endocrine functions; neurotransmitter release, activation of inflammatory cells, fibrosis, cell proliferation and differentiation ACTELION PHARMACEUTICALS LTD. (CH) 2007-07-19 US disclosed
US-20070167472-A1 2-Methoxy-ethanesulfamic acid [6-[2-(5-bromo-pyrimidin-2-yloxy)-ethoxy]-5-(2-chloro-5-methoxy-phenoxy)-pyrimidin-4-yl]-amide; vasoconstrictor, mediator of cardiac, renal, endocrine functions; neurotransmitter release, activation of inflammatory cells, fibrosis, cell proliferation and differentiation ACTELION PHARMACEUTICALS LTD. (CH) 2007-07-19 US disclosed
WO-2004050640-A1 PYRIMIDINE-SULFAMIDES AND THEIR USE AS ENDOTHELIAN RECEPTOR ANTAGONIST ACTELION PHARMACEUTICALS LTD (CH) 2004-06-17 WO disclosed
US-6620932-B2 2-alkoxy group may be introduced into the appropriate pyrimidine derivatives at the start of the reaction DEGUSSA AG (DE) 2003-09-16 US disclosed
US-20030022908-A1 2-alkoxy-5-methoxypyrimidines or their tautomeric forms and methods for producing the same DEGUSSA AG (DE) 2003-01-30 US disclosed
EP-1274690-A1 2-ALKOXY-5-METHOXYPYRIMIDINES OR THEIR TAUTOMERIC FORMS AND METHODS FOR PRODUCING THE SAME Degussa AG (DE) 2003-01-15 EP disclosed
WO-2001081320-A1 2-ALKOXY-5-METHOXYPYRIMIDINES OR THEIR TAUTOMERIC FORMS AND METHODS FOR PRODUCING THE SAME DEGUSSA AG (DE) 2001-11-01 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 (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-20110092506-A1 TRISUBSTITUTED AMINE COMPOUND CETP, MTTP, APOB KDM4E 309/4885MEN1 2509/4885KMT2A 544/4885
US-20090029994-A1 Trisubstituted amine compound CETP, MTTP, APOB KDM4E 309/4885MEN1 2509/4885KMT2A 544/4885
US-20030022908-A1 2-alkoxy-5-methoxypyrimidines or their tautomeric forms and methods for producing the same DPYD, TYMP, UMPS KDM4E 1109/4885MEN1 1135/4885KMT2A 1253/4885
US-20070167472-A1 2-Methoxy-ethanesulfamic acid [6-[2-(5-bromo-pyrimidin-2-yloxy)-ethoxy]-5-(2-chloro-5-methoxy-phenoxy)-pyrimidin-4-yl]-amide; vasoconstrictor, mediator of cardiac, renal, endocrine functions; neurotransmitter release, activation of inflammatory cells, fibrosis, cell proliferation and differentiation EDNRA, EDNRB, AGTR2 KDM4E 1272/4885MEN1 3515/4885KMT2A 2938/4885
US-20090023729-A1 Trisubstituted amine compound CETP, MTTP, APOB KDM4E 418/4885MEN1 2338/4885KMT2A 636/4885

“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.