SCHEMBL9104006

SCHEMBL9104006

N=C(N)CCc1ccc(F)c(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 2/20 0.40
PARP1 P09874 1/20 0.38
IDO1 P14902 4/20 0.33
FAAH O00519 1/20 0.33
PLAU P00749 1/20 0.33
F2 P00734 1/20 0.33
F10 P00742 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
SLC9A1 P19634 1/20 0.32
LMNA P02545 1/20 0.32
HTR3E A5X5Y0 1/20 0.32

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
Hydrochloric Acid SCHEMBL9107781 0.98 CYP2D6 (0.39) CYP2D6CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL4837866 0.84 DAO (0.39) CYP2D6KDM4EIDO1F2F10
Hydrochloric Acid SCHEMBL4713635 0.82 DAO (0.38) CYP2D6KDM4EIDO1F2F10
SCHEMBL4847962 0.79 PNMT (0.43) IDO1F10HTR3EHTR3BHTR3A
Hydrochloric Acid SCHEMBL4718123 0.78 PNMT (0.42) IDO1F10HTR3EHTR3BHTR3A
SCHEMBL1363945 0.77 TAAR1 (0.52) CYP2D6CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL4815073 0.77 FFAR1 (0.51) FFAR1FFAR4
SCHEMBL17606043 0.76 PARP1 (0.41) CYP2D6CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL4599785 0.76 CYP1A2 (0.53) CYP2D6CYP1A2CYP2C9CYP2C19NPSR1
Hydrochloric Acid SCHEMBL17823096 0.76 TAAR1 (0.50) CYP2D6CYP1A2CYP2C9CYP2C19NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2649053-B1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 GLAXO GROUP LTD (GB) 2015-11-04 EP disclosed
EP-2649053-B1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 GLAXO GROUP LTD (GB) 2015-11-04 EP 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-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-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-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-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-20140113922-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2014-04-24 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-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
EP-2649053-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP - PLA2 Glaxo Group Limited (GB) 2013-10-16 EP 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-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-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
WO-2012076435-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP - PLA2 GLAXO GROUP LIMITED (GB) 2012-06-14 WO disclosed
WO-2012076435-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP - PLA2 GLAXO GROUP LIMITED (GB) 2012-06-14 WO disclosed
US-20120142717-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-06-07 US disclosed
US-20120142717-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-06-07 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 (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-20140113922-A1 COMPOUNDS LIPG, PLA2G1B, ENPP2 CYP2D6 4169/4885CYP1A2 3577/4885CYP2C9 4374/4885
US-20120142717-A1 COMPOUNDS LIPG, PLA2G1B, ENPP2 CYP2D6 4169/4885CYP1A2 3577/4885CYP2C9 4374/4885
US-20130252963-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASE OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B CYP2D6 3418/4885CYP1A2 3125/4885CYP2C9 4040/4885
US-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B CYP2D6 3462/4885CYP1A2 3087/4885CYP2C9 4061/4885

“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.