SCHEMBL9889709

SCHEMBL9889709

Cc1ccc(Oc2ccc(CCNc3nc(=O)c(Cc4cnc(C)nc4)c[nH]3)cc2C#N)nc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 1/20 0.35
XDH P47989 1/20 0.35
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CNR2 P34972 1/20 0.32
CYP2D6 P10635 2/20 0.32
CYP3A4 P08684 2/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
P2RX3 P56373 2/20 0.31
SLC22A12 Q96S37 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31

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
SCHEMBL9106587 0.90 PLAAT3 (0.33) XDHCNR2CYP2D6HPGDSCN9A
SCHEMBL9889715 0.84 CYP3A4 (0.38) CYP2C9CYP2C19CYP3A4KDM4EP2RX3
SCHEMBL9889716 0.84 SLC22A12 (0.40) SLC22A12
SCHEMBL9892569 0.83 CNR2 (0.37) CYP2C9CYP2C19NPC1RAB9ACNR2
SCHEMBL9106957 0.82 PLA2G7 (0.34) CNR2MAPTHPGDSCN9A
SCHEMBL9103452 0.81 PLA2G7 (0.44)
SCHEMBL9889708 0.79 CYP2C9 (0.37) CYP2C9CYP2C19CYP3A4LMNASMN1; SMN2
SCHEMBL9889710 0.79 CYP2C9 (0.33) CYP2C9CYP2C19
SCHEMBL9107066 0.78 CNR2 (0.39) NPC1RAB9ACNR2CYP2D6ALDH1A1
SCHEMBL9889612 0.77 PLA2G7 (0.36) CYP2C9CYP2C19XDHALDH1A1MAPT

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 CYP2C9 4374/4885CYP2C19 3931/4885XDH 2208/4885
US-20130252963-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASE OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B CYP2C9 4040/4885CYP2C19 2952/4885XDH 1014/4885
US-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B CYP2C9 4061/4885CYP2C19 3017/4885XDH 986/4885

“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.