SCHEMBL3522367

SCHEMBL3522367

NC(=O)CCn1cnc(OCc2ccccc2)c(Br)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.44
THRB P10828 2/20 0.44
MAPK14 Q16539 2/20 0.43
TSHR P16473 3/20 0.40
TP53 P04637 3/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
MAPK1 P28482 1/20 0.40
DAPK1 P53355 1/20 0.38
PARP10 Q53GL7 1/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37

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
SCHEMBL3520895 0.90 EGLN3 (0.46) POLBTHRBMAPK14TSHRTP53
SCHEMBL3527413 0.86 POLB (0.45) POLBTHRBMAPK14TSHRTP53
SCHEMBL3521531 0.84 MEN1 (0.47) POLBTHRBMAPK14TSHRTP53
SCHEMBL3521649 0.84 MAPK14 (0.48) POLBTHRBMAPK14TSHRTP53
Hydrochloric Acid SCHEMBL3523113 0.83 POLB (0.50) POLBTHRBMAPK14TP53MAPK1
Hydrochloric Acid SCHEMBL3527663 0.81 POLB (0.48) POLBTHRBTP53MAPK1MAPT
SCHEMBL3524527 0.81 MAPK14 (0.60) MAPK14DAPK1KDM4EALDH1A1MEN1
SCHEMBL3524712 0.81 NPSR1 (0.50) POLBTSHRALDH1A1MEN1KMT2A
SCHEMBL3523400 0.81 MMP13 (0.50) POLBMAPK14DAPK1PARP10KDM4E
Hydrochloric Acid SCHEMBL3523395 0.80 EGFR (0.40) POLBTHRBMAPK14TSHRMAPK1

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 POLB 1067/4885THRB 1541/4885MAPK14 38/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 POLB 726/4885THRB 1934/4885MAPK14 29/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 POLB 1067/4885THRB 1541/4885MAPK14 38/4885

“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.