SCHEMBL3518955

SCHEMBL3518955

O=c1c(Br)c(OCc2ccccc2)ncn1Cc1ccccc1OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.53
HTR1A P08908 1/20 0.43
DRD2 P14416 1/20 0.43
GAA P10253 2/20 0.41
ABCB1 P08183 1/20 0.41
DAPK1 P53355 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
HPGD P15428 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.39
PDE5A O76074 1/20 0.39

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
SCHEMBL3524527 0.87 MAPK14 (0.60) MAPK14DAPK1ALDH1A1KDM4EMEN1
SCHEMBL3526903 0.87 ALDH1A1 (0.48) MAPK14DAPK1ALDH1A1KDM4ELMNA
SCHEMBL3521512 0.87 MAPK14 (0.46) MAPK14DAPK1ALDH1A1
SCHEMBL3520768 0.84 TP53 (0.45) MAPK14DAPK1ALDH1A1TP53MAPT
SCHEMBL3522684 0.84 ALDH1A1 (0.48) MAPK14DAPK1ALDH1A1KDM4ETDP1
SCHEMBL3521867 0.83 MAPK14 (0.53) MAPK14DAPK1ALDH1A1KDM4EMEN1
SCHEMBL3520444 0.83 MAPK14 (0.43) MAPK14DAPK1ALDH1A1
SCHEMBL3522304 0.82 MAPK14 (0.55) MAPK14GAADAPK1ALDH1A1MEN1
SCHEMBL3524246 0.81 MAPK14 (0.54) MAPK14DAPK1ALDH1A1MEN1LMNA
SCHEMBL3522825 0.81 MAPK14 (0.54) MAPK14DAPK1ALDH1A1MEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795271-B2 Substituted pyrimidinones PHARMACIA CORPORATION (US) 2010-09-14 US disclosed
US-20090306108-A1 SUBSTITUTED PYRIMIDINONES PFIZER INC 2009-12-10 US disclosed
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES PHARMACIA CORPORATION (US) 2007-07-19 US disclosed
US-7183287-B2 Substituted pyrimidinones PHARMACIA CORPORATION (US) 2007-02-27 US disclosed
EP-1753731-A2 PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS P38 KINASE MODULATORS Pharmacia Corporation (US) 2007-02-21 EP disclosed
US-20040242608-A1 Substituted pyrimidinones PHARMACIA LLC 2004-12-02 US disclosed
WO-2004087677-A2 PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS P38 KINASE MODULATORS PHARMACIA CORPORATION (US) 2004-10-14 WO 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-20090306108-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 MAPK14 38/4885HTR1A 1460/4885DRD2 2408/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 MAPK14 29/4885HTR1A 1514/4885DRD2 2686/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 MAPK14 38/4885HTR1A 1460/4885DRD2 2408/4885

“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.