SCHEMBL504012

SCHEMBL504012

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

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37

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
SCHEMBL633187 0.92 PTPN1 (0.39)
SCHEMBL504036 0.91 ACHE (0.40) APLNR
SCHEMBL632772 0.91 APLNR (0.38) APLNR
SCHEMBL504697 0.91 APLNR (0.39) APLNR
SCHEMBL504305 0.91 ACHE (0.40) APLNR
SCHEMBL634149 0.90 APLNR (0.36) APLNR
SCHEMBL633147 0.90 APLNR (0.36) APLNR
SCHEMBL634050 0.90 APLNR (0.37) APLNR
SCHEMBL634037 0.89 FFAR1 (0.42)
SCHEMBL633149 0.89 APLNR (0.36) APLNR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20120028983-A1 NOVEL COMPOUND HAVING 3-HETEROARYLPYRIMIDIN-4-(3H)-ONE STRUCTURE AND PHARMACEUTICAL PREPARATION CONTAINING SAME AGTR2, AGTR1, GPR119 APLNR 492/4885ALDH1A1 2511/4885CYP1A2 860/4885

“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.