SCHEMBL3522147

SCHEMBL3522147

O=c1c(Br)c(OCc2ccc(Cl)cc2)ncn1CCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB2 P49721 1/20 0.49
MAPK14 Q16539 3/20 0.45
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
BCHE P06276 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
CNOT7 Q9UIV1 3/20 0.40
SCD O00767 1/20 0.40
STAT1 P42224 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
APP P05067 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
DAPK1 P53355 1/20 0.39
HTT P42858 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
SCHEMBL3524246 0.89 MAPK14 (0.54) MAPK14ALDH1A1HPGDTSHRNPSR1
SCHEMBL3522825 0.89 MAPK14 (0.54) MAPK14ALDH1A1HPGDTSHRNPSR1
SCHEMBL3524658 0.84 MAPT (0.49) PSMB2MAPK14ALDH1A1HPGDTSHR
SCHEMBL3524040 0.84 MAPK14 (0.55) MAPK14ALDH1A1HPGDTSHRNPSR1
SCHEMBL3524527 0.82 MAPK14 (0.60) MAPK14ALDH1A1HPGDKMT2ADAPK1
SCHEMBL3519359 0.82 MAPK14 (0.44) MAPK14ALDH1A1HPGDTSHRCNOT7
SCHEMBL3523372 0.82 MAPK14 (0.41) PSMB2MAPK14ALDH1A1HPGDCNOT7
SCHEMBL3522304 0.81 MAPK14 (0.55) MAPK14ALDH1A1TSHRKMT2ADAPK1
SCHEMBL3520892 0.81 MAPK14 (0.47) MAPK14ALDH1A1HPGDTSHRSCD
SCHEMBL4480893 0.80 MAPK14 (0.69) PSMB2MAPK14ALDH1A1HPGDNPSR1

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-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
US-20040242608-A1 Substituted pyrimidinones PHARMACIA LLC 2004-12-02 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-20090306108-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 PSMB2 3180/4885MAPK14 38/4885ALDH1A1 874/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 PSMB2 2771/4885MAPK14 29/4885ALDH1A1 550/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 PSMB2 3180/4885MAPK14 38/4885ALDH1A1 874/4885

“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.