SCHEMBL3526199

SCHEMBL3526199

O=C(Nc1ncn(Cc2cccc(F)c2)c(=O)c1Br)c1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B13 Q7Z5P4 2/20 0.52
MAPK14 Q16539 2/20 0.49
MAPT P10636 6/20 0.49
LMNA P02545 2/20 0.49
IDO1 P14902 1/20 0.48
MMP13 P45452 2/20 0.46
P2RY14 Q15391 1/20 0.46
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GRK2 P25098 1/20 0.45
PTGER3 P43115 1/20 0.43
ABL1 P00519 1/20 0.43
SRC P12931 1/20 0.43
TP53 P04637 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
SCHEMBL3521684 0.88 MAPT (0.48) HSD17B13MAPK14MAPTLMNAMMP13
SCHEMBL3522865 0.88 MAPT (0.47) HSD17B13MAPK14MAPTLMNAMMP13
SCHEMBL3521076 0.88 MAPT (0.49) HSD17B13MAPK14MAPTLMNAMMP13
SCHEMBL3521362 0.83 MAPT (0.49) HSD17B13MAPK14MAPTLMNAALDH1A1
SCHEMBL4378804 0.81 MAPK14 (0.56) HSD17B13MAPK14MAPTP2RY14ALDH1A1
SCHEMBL27683030 0.81 MMP13 (0.54) HSD17B13MAPK14MAPTLMNAMMP13
SCHEMBL3523270 0.80 MAPK14 (0.49) HSD17B13MAPK14MAPTLMNAMMP13
SCHEMBL3520013 0.80 MAPT (0.53) HSD17B13MAPK14MAPTLMNAIDO1
SCHEMBL3521065 0.80 MAPK14 (0.52) HSD17B13MAPK14MAPTLMNAALDH1A1
SCHEMBL3522187 0.79 MAPK14 (0.48) HSD17B13MAPK14MAPTLMNAMMP13

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 HSD17B13 3990/4885MAPK14 38/4885MAPT 2576/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 HSD17B13 3280/4885MAPK14 29/4885MAPT 3038/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 HSD17B13 3990/4885MAPK14 38/4885MAPT 2576/4885

“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.