SCHEMBL9889442

SCHEMBL9889442

Cc1cc(Oc2ccc(CCN)cc2)ccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
TAAR1 Q96RJ0 4/20 0.49
PNMT P11086 1/20 0.49
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAOB P27338 5/20 0.45
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2A6 P11509 1/20 0.44

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
SCHEMBL9889567 0.87 TAAR1 (0.49) TAAR1PNMTSMN1; SMN2MAOBCYP1A2
SCHEMBL15832064 0.87 ST14 (0.58) KDM4EPOLBKMT2ASMN1; SMN2MAOB
SCHEMBL9889495 0.85 MCL1 (0.44) KDM4EPOLBKMT2ASMN1; SMN2MEN1
SCHEMBL9108367 0.84 MCL1 (0.46) KDM4EPOLBKMT2ASMN1; SMN2MEN1
SCHEMBL9889468 0.81 KMT2A (0.46) KDM4EPOLBKMT2ASMN1; SMN2MEN1
SCHEMBL9889559 0.81 TAAR1 (0.50) KDM4EPOLBTAAR1SMN1; SMN2CYP1A2
SCHEMBL554765 0.81 POLB (0.64) KDM4EPOLBKMT2ASMN1; SMN2MAOB
SCHEMBL9889440 0.81 KMT2A (0.42) KDM4EPOLBKMT2ASMN1; SMN2MEN1
SCHEMBL3840980 0.81 TAAR1 (0.67) KDM4ETAAR1PNMTSMN1; SMN2MAOB
SCHEMBL6564428 0.80 KDM4E (0.56) KDM4EPOLBKMT2ASMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9273054-B2 Substituted pyrimido[1,6-a]pyrimidines as Lp-PLA2 inhibitors GLAXO GROUP LIMITED (GB) 2016-03-01 US disclosed
US-9174968-B2 Pyrimidinone compounds for use in the treatment of diseases or conditions mediated by LP-PLA2 GLAXO GROUP LIMITED (GB) 2015-11-03 US disclosed
US-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 GLAXO GROUP LIMITED (GB) 2015-04-09 US disclosed
US-20140179716-A1 BICYCLIC PYRIMIDONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2014-06-26 US disclosed
US-8637536-B2 Pyrimidinone compounds for use in the treatment of diseases or conditions mediated by Lp-PLA2 GLAXO GROUP LIMITED (GB) 2014-01-28 US disclosed
US-20130252963-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASE OR CONDITIONS MEDIATED BY LP-PLA2 GLAXO GROUP LIMITED (GB) 2013-09-26 US disclosed
US-20130030012-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-01-31 US disclosed
US-20120142717-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-06-07 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-20140179716-A1 BICYCLIC PYRIMIDONE COMPOUNDS PLA2G7, PLA2G4A, PLA2G1B KDM4E 3861/4885POLB 1014/4885TAAR1 2439/4885
US-20120142717-A1 COMPOUNDS LIPG, PLA2G1B, ENPP2 KDM4E 3871/4885POLB 2244/4885TAAR1 3528/4885
US-20130252963-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASE OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B KDM4E 3024/4885POLB 1329/4885TAAR1 2015/4885
US-20130030012-A1 COMPOUNDS LPCAT1, PLA2G7, PLAAT2 KDM4E 3850/4885POLB 2619/4885TAAR1 2652/4885
US-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B KDM4E 3085/4885POLB 1385/4885TAAR1 1985/4885

“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.