SCHEMBL3520146

SCHEMBL3520146

N#Cc1ccc(COc2ncn(Cc3cccc(F)c3)c(=O)c2Br)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.55
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
MMP13 P45452 2/20 0.43
KDM4E B2RXH2 3/20 0.40
HPGD P15428 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
ALDH1A1 P00352 2/20 0.40
PKM P14618 2/20 0.40
HSD17B10 Q99714 1/20 0.40
CLPP Q16740 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 2/20 0.39
THRB P10828 1/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 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
SCHEMBL3521534 0.90 MAPK14 (0.67) MAPK14KDM4EHPGDNPSR1ALDH1A1
SCHEMBL3525734 0.89 MAPK14 (0.49) MAPK14CYP11B1CYP11B2MMP13KDM4E
SCHEMBL3519707 0.88 MAPK14 (0.59) MAPK14KDM4EHPGDNPSR1ALDH1A1
SCHEMBL3521113 0.88 MAPK14 (0.58) MAPK14KDM4EHPGDNPSR1ALDH1A1
SCHEMBL3520113 0.87 MMP13 (0.52) MAPK14CYP11B1CYP11B2MMP13KDM4E
SCHEMBL3522000 0.85 RXFP1 (0.46) MAPK14CYP11B1CYP11B2MMP13ALDH1A1
SCHEMBL3519640 0.85 MAPK14 (0.56) MAPK14KDM4EHPGDNPSR1ALDH1A1
SCHEMBL3523536 0.85 MAPK14 (0.56) MAPK14KDM4EHPGDNPSR1ALDH1A1
SCHEMBL3520149 0.85 MAPK14 (0.55) MAPK14KDM4EHPGDNPSR1ALDH1A1
SCHEMBL3518434 0.84 MAPK14 (0.55) MAPK14KDM4EHPGDNPSR1ALDH1A1

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 38/4885CYP11B1 509/4885CYP11B2 513/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 MAPK14 29/4885CYP11B1 269/4885CYP11B2 300/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 MAPK14 38/4885CYP11B1 509/4885CYP11B2 513/4885

“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.