SCHEMBL503954

SCHEMBL503954

CCCCc1nc(C)n(-c2ncc(OCc3ccccc3)cn2)c(=O)c1Cc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.43
AKR1B1 P15121 1/20 0.43
APLNR P35414 1/20 0.39

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
SCHEMBL504366 0.93 ACHE (0.40) APLNR
SCHEMBL504036 0.93 ACHE (0.40) APLNR
SCHEMBL504305 0.92 ACHE (0.40) APLNR
SCHEMBL504759 0.91 APLNR (0.42) APLNR
SCHEMBL505185 0.91 AGTR1 (0.37)
SCHEMBL504697 0.91 APLNR (0.39) APLNR
SCHEMBL504836 0.90 ACHE (0.38) APLNR
SCHEMBL504006 0.90 APLNR (0.43) APLNR
SCHEMBL634037 0.90 FFAR1 (0.42) FFAR1AKR1B1
SCHEMBL633703 0.89 FFAR1 (0.41) FFAR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8664226-B2 Compound having 3-heteroarylpyrimidin-4-(3H)-one structure and pharmaceutical preparation containing same KOWA COMPANY, LTD. (JP) 2014-03-04 US disclosed
EP-2420501-A1 NOVEL COMPOUND HAVING 3-HETEROARYLPYRIMIDIN-4-(3H)-ONE STRUCTURE AND PHARMACEUTICAL PREPARATION CONTAINING SAME Kowa Company, Ltd. (JP) 2012-02-22 EP disclosed
US-20120028983-A1 NOVEL COMPOUND HAVING 3-HETEROARYLPYRIMIDIN-4-(3H)-ONE STRUCTURE AND PHARMACEUTICAL PREPARATION CONTAINING SAME KOWA COMPANY, LTD. (JP) 2012-02-02 US disclosed
EP-2399917-A1 NOVEL COMPOUNDS COMPRISING A 3-(5-ALKOXYPYRIMIDIN-2-YL) PYRIMIDIN-4(3H)-ONE STRUCTURE AND DRUGS THAT COMPRISE SAME Kowa Company, Ltd. (JP) 2011-12-28 EP disclosed
US-20110306623-A1 NOVEL COMPOUNDS COMPRISING A 3-(5-ALKOXYPYRIMIDIN-2-YL) PYRIMIDIN-4(3H)-ONE STRUCTURE AND DRUGS THAT COMPRISE SAME KOWA COMPANY, LTD. (JP) 2011-12-15 US disclosed
US-20110306623-A1 NOVEL COMPOUNDS COMPRISING A 3-(5-ALKOXYPYRIMIDIN-2-YL) PYRIMIDIN-4(3H)-ONE STRUCTURE AND DRUGS THAT COMPRISE SAME KOWA COMPANY, LTD. (JP) 2011-12-15 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 (2 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-20110306623-A1 NOVEL COMPOUNDS COMPRISING A 3-(5-ALKOXYPYRIMIDIN-2-YL) PYRIMIDIN-4(3H)-ONE STRUCTURE AND DRUGS THAT COMPRISE SAME AGTR2, AGTR1, PPARD FFAR1 28/4885AKR1B1 260/4885APLNR 252/4885
US-20120028983-A1 NOVEL COMPOUND HAVING 3-HETEROARYLPYRIMIDIN-4-(3H)-ONE STRUCTURE AND PHARMACEUTICAL PREPARATION CONTAINING SAME AGTR2, AGTR1, GPR119 FFAR1 30/4885AKR1B1 445/4885APLNR 492/4885

“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.