SCHEMBL3523372

SCHEMBL3523372

O=c1c(Br)c(OCc2ccccc2)ncn1CCc1ccsc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.41
ALDH1A1 P00352 2/20 0.37
DRD2 P14416 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
PSMB2 P49721 1/20 0.36
APP P05067 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
DAPK1 P53355 1/20 0.36
CNOT7 Q9UIV1 5/20 0.35
KDM4E B2RXH2 2/20 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
SCHEMBL3522613 0.82 CNOT7 (0.44) MAPK14ALDH1A1DAPK1CNOT7
SCHEMBL3522147 0.82 PSMB2 (0.49) MAPK14ALDH1A1PSMB2APPHDAC1
SCHEMBL4379180 0.81 MAPK14 (0.62) MAPK14DRD2SIGMAR1CNR1CNR2
SCHEMBL3524527 0.78 MAPK14 (0.60) MAPK14ALDH1A1DAPK1KDM4EHPGD
SCHEMBL3520895 0.78 EGLN3 (0.46) MAPK14ALDH1A1HDAC6DAPK1KDM4E
SCHEMBL3521060 0.77 MAPK14 (0.49) MAPK14ALDH1A1DAPK1
SCHEMBL3527413 0.76 POLB (0.45) MAPK14ALDH1A1KDM4E
SCHEMBL3521649 0.76 MAPK14 (0.48) MAPK14ALDH1A1HDAC6DAPK1KDM4E
SCHEMBL3522367 0.76 POLB (0.44) MAPK14ALDH1A1DAPK1KDM4EMAPT
SCHEMBL3519359 0.76 MAPK14 (0.44) MAPK14ALDH1A1CNOT7KDM4EMAPT

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 MAPK14 38/4885ALDH1A1 874/4885DRD2 2408/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 MAPK14 29/4885ALDH1A1 550/4885DRD2 2686/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 MAPK14 38/4885ALDH1A1 874/4885DRD2 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.