SCHEMBL3521076

SCHEMBL3521076

O=C(Nc1ncn(Cc2cccc(F)c2)c(=O)c1Br)c1c(F)cccc1F

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.49
LMNA P02545 3/20 0.49
HSD17B13 Q7Z5P4 1/20 0.47
MAPK14 Q16539 2/20 0.45
MMP13 P45452 1/20 0.44
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
FSCN1 Q16658 1/20 0.40
THRB P10828 1/20 0.40
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PTGER3 P43115 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
SCHEMBL3522865 0.88 MAPT (0.47) MAPTLMNAHSD17B13MAPK14MMP13
SCHEMBL3521684 0.88 MAPT (0.48) MAPTLMNAHSD17B13MAPK14MMP13
SCHEMBL3526199 0.88 HSD17B13 (0.52) MAPTLMNAHSD17B13MAPK14MMP13
SCHEMBL3521362 0.83 MAPT (0.49) MAPTLMNAHSD17B13MAPK14ALDH1A1
SCHEMBL4385079 0.81 MAPK14 (0.51) MAPTLMNAHSD17B13MAPK14ALDH1A1
SCHEMBL3523270 0.80 MAPK14 (0.49) MAPTLMNAHSD17B13MAPK14MMP13
SCHEMBL3521065 0.80 MAPK14 (0.52) MAPTLMNAHSD17B13MAPK14ALDH1A1
SCHEMBL3522187 0.79 MAPK14 (0.48) MAPTLMNAHSD17B13MAPK14MMP13
SCHEMBL3524048 0.78 KDM4E (0.48) MAPTLMNAHSD17B13MAPK14MMP13
SCHEMBL3524971 0.77 MAPK14 (0.53) MAPTLMNAHSD17B13MAPK14MMP13

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 MAPT 2576/4885LMNA 3164/4885HSD17B13 3990/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 MAPT 3038/4885LMNA 3198/4885HSD17B13 3280/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 MAPT 2576/4885LMNA 3164/4885HSD17B13 3990/4885

“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.