SCHEMBL3524658

SCHEMBL3524658

O=c1c(Br)c(OCc2ccc(Cl)cc2)ncn1CCSc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
CYP1A2 P05177 3/20 0.45
CYP2D6 P10635 3/20 0.45
CYP2C9 P11712 3/20 0.45
CYP2C19 P33261 3/20 0.45
MAPK14 Q16539 3/20 0.40
TSHR P16473 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
CYP3A4 P08684 1/20 0.38
PSMB2 P49721 1/20 0.37
NPSR1 Q6W5P4 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
SCD O00767 1/20 0.36
HRH4 Q9H3N8 1/20 0.35
RAB9A P51151 2/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL3522147 0.84 PSMB2 (0.49) MAPTMAPK14TSHRALDH1A1HPGD
SCHEMBL3522825 0.83 MAPK14 (0.54) MAPK14TSHRALDH1A1HPGDNPSR1
SCHEMBL3524246 0.83 MAPK14 (0.54) MAPK14TSHRALDH1A1HPGDNPSR1
SCHEMBL4474150 0.82 MAPK14 (0.60) MAPTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL3524040 0.80 MAPK14 (0.55) MAPTCYP1A2CYP2C19MAPK14TSHR
SCHEMBL3524527 0.76 MAPK14 (0.60) MAPK14ALDH1A1HPGDKMT2AMEN1
SCHEMBL3520846 0.75 MAPK14 (0.65) MAPTMAPK14ALDH1A1HPGDKMT2A
SCHEMBL3522796 0.75 MAPK14 (0.50) MAPTMAPK14ALDH1A1HPGDNPSR1
SCHEMBL3520892 0.75 MAPK14 (0.47) MAPTCYP1A2CYP2C19MAPK14TSHR
SCHEMBL3522304 0.75 MAPK14 (0.55) MAPTCYP1A2CYP2D6CYP2C9CYP2C19

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 MAPT 2576/4885CYP1A2 895/4885CYP2D6 745/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 MAPT 3038/4885CYP1A2 873/4885CYP2D6 626/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 MAPT 2576/4885CYP1A2 895/4885CYP2D6 745/4885

“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.