SCHEMBL3526643

SCHEMBL3526643

O=c1c(Cl)c(OCc2ccc(F)cc2F)ncn1Cc1ccc2c(c1)CCNC2

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
MAPK14 Q16539 13/20 0.41
MAPK11 Q15759 1/20 0.40
MCHR1 Q99705 5/20 0.38
HTR6 P50406 1/20 0.35

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
SCHEMBL3525171 0.93 MAPK14 (0.42) KCNH2SIGMAR1MAPK14MAPK11HTR6
SCHEMBL3520166 0.87 MAPK14 (0.41) KCNH2SIGMAR1MAPK14MAPK11MCHR1
SCHEMBL4482094 0.85 MAPK14 (0.54) MAPK14MCHR1
SCHEMBL3520406 0.84 MAPK14 (0.40) KCNH2SIGMAR1MAPK14MAPK11MCHR1
SCHEMBL3521424 0.82 MAPK14 (0.58) MAPK14MAPK11
SCHEMBL3523988 0.82 MAOB (0.45) MAPK14MAPK11
SCHEMBL3523563 0.82 ESR1 (0.41) KCNH2MAPK14MAPK11MCHR1
SCHEMBL3522679 0.81 MAPK14 (0.45) MAPK14MAPK11
SCHEMBL3523055 0.81 MAPK14 (0.44) MAPK14MAPK11
SCHEMBL3526022 0.80 MAPK14 (0.44) MAPK14MAPK11

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 KCNH2 3420/4885SIGMAR1 1412/4885MAPK14 38/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 KCNH2 3161/4885SIGMAR1 1250/4885MAPK14 29/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 KCNH2 3420/4885SIGMAR1 1412/4885MAPK14 38/4885

“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.