SCHEMBL3522865

SCHEMBL3522865

O=C(Nc1ncn(Cc2cccc(F)c2)c(=O)c1Br)c1cc(F)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
LMNA P02545 2/20 0.47
HSD17B13 Q7Z5P4 1/20 0.46
MAPK14 Q16539 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
MEN1 O00255 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
MET P08581 1/20 0.44
AXL P30530 1/20 0.44
FSCN1 Q16658 1/20 0.43
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.42
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
MMP13 P45452 1/20 0.41
TP53 P04637 2/20 0.40
PTGER3 P43115 1/20 0.40

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
SCHEMBL3521684 0.92 MAPT (0.48) MAPTLMNAHSD17B13MAPK14SMN1; SMN2
SCHEMBL3521076 0.88 MAPT (0.49) MAPTLMNAHSD17B13MAPK14SMN1; SMN2
SCHEMBL3526199 0.88 HSD17B13 (0.52) MAPTLMNAHSD17B13MAPK14SMN1; SMN2
SCHEMBL3521362 0.83 MAPT (0.49) MAPTLMNAHSD17B13MAPK14SMN1; SMN2
SCHEMBL4467899 0.82 MAPT (0.54) MAPTHSD17B13MAPK14SMN1; SMN2L3MBTL1
SCHEMBL3521065 0.80 MAPK14 (0.52) MAPTLMNAHSD17B13MAPK14SMN1; SMN2
SCHEMBL3523270 0.79 MAPK14 (0.49) MAPTLMNAHSD17B13MAPK14SMN1; SMN2
SCHEMBL3522187 0.78 MAPK14 (0.48) MAPTLMNAHSD17B13MAPK14SMN1; SMN2
SCHEMBL3523859 0.78 MAPK14 (0.57) MAPTLMNAHSD17B13MAPK14SMN1; SMN2
SCHEMBL3524048 0.77 KDM4E (0.48) MAPTLMNAHSD17B13MAPK14SMN1; SMN2

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.