SCHEMBL3524356

SCHEMBL3524356

O=c1cc(O)ncn1Cc1cccc(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B13 Q7Z5P4 1/20 0.47
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44
PDE1C Q14123 2/20 0.44
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPT P10636 2/20 0.43
BRD4 O60885 1/20 0.43
PDE1A P54750 1/20 0.43
PDE1B Q01064 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
DBH P09172 1/20 0.43
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
THRB P10828 1/20 0.42
EPHX2 P34913 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
SCHEMBL3523300 0.83 GAA (0.50) HSD17B13CYP11B1CYP11B2SMN1; SMN2KDM4C
SCHEMBL31333022 0.82 ROCK2 (0.44) HSD17B13CYP11B1CYP11B2ROCK2ROCK1
SCHEMBL3527707 0.78 MAPK14 (0.53) CYP11B1CYP11B2ROCK2ROCK1PDE1C
SCHEMBL3524971 0.77 MAPK14 (0.53) HSD17B13CYP11B1CYP11B2ROCK2ROCK1
SCHEMBL3526509 0.77 CDK9 (0.55) KDM4EALDH1A1LMNAKDM4CMAPK14
SCHEMBL4378877 0.77 MAPK14 (0.49) CYP11B1CYP11B2KDM4EALDH1A1SMN1; SMN2
SCHEMBL3525701 0.76 USP7 (0.41) CYP11B1CYP11B2ROCK2ROCK1PDE1C
SCHEMBL459562 0.73 POLB (0.47) HSD17B13MAPTBRD4ALDH1A1SMN1; SMN2
SCHEMBL31742392 0.72 HTT (0.58) HSD17B13ROCK2ROCK1SMN1; SMN2
SCHEMBL3520927 0.72 MEN1 (0.50) ROCK2PDE1CKDM4EHPGDMAPT

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 3990/4885CYP11B1 509/4885CYP11B2 513/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 HSD17B13 3280/4885CYP11B1 269/4885CYP11B2 300/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 HSD17B13 3990/4885CYP11B1 509/4885CYP11B2 513/4885

“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.