SCHEMBL3524971

SCHEMBL3524971

O=c1c(Br)c(O)ncn1Cc1cccc(F)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.53
HSD17B13 Q7Z5P4 1/20 0.48
MAPT P10636 6/20 0.47
LMNA P02545 3/20 0.47
ROCK2 O75116 2/20 0.47
ROCK1 Q13464 2/20 0.47
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PDE1C Q14123 2/20 0.44
THRB P10828 2/20 0.44
MMP13 P45452 1/20 0.44
PDE1A P54750 1/20 0.43
PDE1B Q01064 1/20 0.43
POLB P06746 1/20 0.43
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42

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
SCHEMBL3522037 0.83 MAPK14 (0.50) MAPK14LMNAKDM4EHPGDSMN1; SMN2
SCHEMBL3521113 0.81 MAPK14 (0.58) MAPK14HSD17B13MAPTLMNAROCK2
SCHEMBL3525282 0.81 MAPK14 (0.56) MAPK14HSD17B13MAPTLMNAROCK2
SCHEMBL3523270 0.80 MAPK14 (0.49) MAPK14HSD17B13MAPTLMNAROCK2
SCHEMBL3526494 0.80 MAPK14 (0.49) MAPK14HSD17B13MAPTLMNAROCK2
SCHEMBL3519707 0.79 MAPK14 (0.59) MAPK14HSD17B13MAPTLMNAROCK2
SCHEMBL3522187 0.79 MAPK14 (0.48) MAPK14HSD17B13MAPTLMNAROCK2
SCHEMBL4374173 0.78 MAPK14 (0.61) MAPK14LMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL3521534 0.78 MAPK14 (0.67) MAPK14MAPTLMNAROCK2ROCK1
SCHEMBL3524048 0.78 KDM4E (0.48) MAPK14HSD17B13MAPTLMNAROCK2

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