SCHEMBL3525586

SCHEMBL3525586

Cc1nc(OCc2ccccc2)c(Br)c(=O)n1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.47
MAPT P10636 1/20 0.46
ALDH1A1 P00352 5/20 0.45
MAPK1 P28482 1/20 0.45
HPGD P15428 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
GAA P10253 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
TNF P01375 1/20 0.43
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
RAB9A P51151 2/20 0.43
LMNA P02545 1/20 0.43
RECQL P46063 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL3523544 0.90 KDM4E (0.51) MAPK14MAPTALDH1A1HPGDCYP1A2
SCHEMBL3523251 0.88 MAPT (0.44) MAPK14MAPTALDH1A1MAPK1HPGD
SCHEMBL13167694 0.86 MAPK14 (0.49) MAPK14MAPTALDH1A1MAPK1HPGD
SCHEMBL3525017 0.84 P2RX7 (0.43) MAPTALDH1A1MAPK1HPGDKDM4E
SCHEMBL3522590 0.83 MAPK14 (0.56) MAPK14
SCHEMBL3523950 0.82 MAPK14 (0.51) MAPK14MAPTALDH1A1MAPK1HPGD
SCHEMBL3522646 0.82 MAPT (0.44) MAPTALDH1A1MAPK1HPGDCYP1A2
SCHEMBL3518538 0.81 PKM (0.52) MAPK14MAPTALDH1A1MAPK1HPGD
SCHEMBL3523253 0.80 MAPT (0.43) MAPTALDH1A1MAPK1HPGDCYP1A2
SCHEMBL3521380 0.79 MAPK14 (0.64) MAPK14L3MBTL1RAB9ASMN1; SMN2DAPK1

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 38/4885MAPT 2576/4885ALDH1A1 874/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 MAPK14 29/4885MAPT 3038/4885ALDH1A1 550/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 MAPK14 38/4885MAPT 2576/4885ALDH1A1 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.