SCHEMBL9889604

SCHEMBL9889604

Cc1cc(Oc2ccc(CSc3nc(=O)c(Cc4cc5ccccc5n4C)c[nH]3)cc2)ccc1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.35
LMNA P02545 1/20 0.32
MMP13 P45452 1/20 0.32
DHODH Q02127 4/20 0.32
TP53 P04637 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
ALDH1A1 P00352 2/20 0.31
CTSB P07858 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2E1 P05181 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C8 P10632 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2B6 P20813 1/20 0.31
CYP2C19 P33261 1/20 0.31
MAPT P10636 1/20 0.31
EGFR P00533 1/20 0.31
MET P08581 1/20 0.31
NPC1 O15118 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
SCHEMBL9107684 0.89 PLA2G7 (0.39) PLA2G7
SCHEMBL9889605 0.85 GPR84 (0.36) MCL1LMNAMMP13TP53CYP1A2
SCHEMBL9889603 0.84 KMT2A (0.34) MCL1LMNAMMP13DHODHCTSB
SCHEMBL9889600 0.83 LMNA (0.39) LMNAMMP13DHODHSMN1; SMN2ALDH1A1
SCHEMBL9889595 0.82 PLA2G7 (0.42) CYP3A4PLA2G7
SCHEMBL9889470 0.81 LMNA (0.38) MCL1LMNAMMP13DHODHTP53
SCHEMBL15275185 0.81 PLA2G7 (0.41) LMNAMMP13PLA2G7
SCHEMBL9889599 0.80 MEN1 (0.40) LMNAMMP13TP53SMN1; SMN2ALDH1A1
SCHEMBL9889615 0.80 PLA2G7 (0.40) LMNAMMP13DHODHMAPTPLA2G7
SCHEMBL9889613 0.79 PLA2G7 (0.41) LMNAMMP13DHODHMAPTPLA2G7

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 MCL1 4277/4885LMNA 512/4885MMP13 249/4885
US-20130252963-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASE OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B MCL1 4587/4885LMNA 502/4885MMP13 643/4885
US-20150099756-A1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 PLA2G1B, PLA2G4A, PLA2G4B MCL1 4565/4885LMNA 471/4885MMP13 644/4885

“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.