SCHEMBL9889502

SCHEMBL9889502

Cc1ccc(Oc2ccc(CCOC(=N)N)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.45
TEAD4 Q15561 1/20 0.43
IDO1 P14902 2/20 0.42
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
EPHX2 P34913 1/20 0.42
S1PR1 P21453 2/20 0.41
S1PR3 Q99500 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2A6 P11509 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
ST14 Q9Y5Y6 3/20 0.40
KCNH2 Q12809 1/20 0.40
F2 P00734 1/20 0.39
PLAU P00749 1/20 0.39
PARP10 Q53GL7 1/20 0.39
FFAR1 O14842 1/20 0.39
HTT P42858 1/20 0.38

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
SCHEMBL9889450 0.86 ALDH1A1 (0.51) ALDH1A1TDP1TAAR1ST14F2
SCHEMBL9889499 0.84 LTA4H (0.43) IDO1EPHX2S1PR1S1PR3TAAR1
SCHEMBL9889513 0.84 ACACB (0.37) WDR5IDO1ST14F2PLAU
SCHEMBL9889506 0.83 OPRM1 (0.45) KCNH2
SCHEMBL9889515 0.83 NPSR1 (0.37) WDR5ALDH1A1MAPTCYP1A2KCNH2
SCHEMBL9108061 0.83 FFAR4 (0.38) S1PR1S1PR3ST14F2FFAR1
SCHEMBL9889510 0.83 P2RX3 (0.40) MAPTST14
SCHEMBL9106011 0.83 CHEK2 (0.40) S1PR1CYP1A2ST14KCNH2F2
SCHEMBL9108158 0.82 KMT2A (0.40) ALDH1A1POLBTDP1ST14KCNH2
SCHEMBL9105909 0.80 IDO1 (0.46) IDO1EPHX2TAAR1FFAR1MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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 (3 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-20120142717-A1 COMPOUNDS LIPG, PLA2G1B, ENPP2 WDR5 3925/4885TEAD4 2299/4885IDO1 2560/4885
US-20130252963-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASE OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B WDR5 2417/4885TEAD4 3254/4885IDO1 838/4885
US-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B WDR5 2429/4885TEAD4 3186/4885IDO1 884/4885

“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.