SCHEMBL16183955

SCHEMBL16183955

Fc1ccccc1-c1ccc2c(NCc3ccccn3)nc(-c3cnccn3)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 5/20 0.50
▸ KCNA5 P22460 7/20 0.49
▸ USP1 O94782 1/20 0.48
▸ WDR48 Q8TAF3 1/20 0.48
▸ KCNH2 Q12809 4/20 0.46
▸ PIP4K2C Q8TBX8 1/20 0.46
▸ JAK2 O60674 1/20 0.45
▸ LCK P06239 1/20 0.45
▸ LYN P07948 1/20 0.45
▸ CDK2 P24941 1/20 0.45
▸ TYK2 P29597 1/20 0.45
▸ TXK P42681 1/20 0.45
▸ NR2C2 P49116 1/20 0.45
▸ GSK3B P49841 1/20 0.45
▸ IRAK1 P51617 1/20 0.45
▸ BMX P51813 1/20 0.45
▸ JAK3 P52333 1/20 0.45
▸ TEK Q02763 1/20 0.45
▸ BTK Q06187 1/20 0.45
▸ ITK Q08881 1/20 0.45

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
SCHEMBL16183957 0.94 KCNA5 (0.49) PDE5AKCNA5USP1WDR48KCNH2
SCHEMBL16183959 0.92 KCNA5 (0.49) PDE5AKCNA5USP1WDR48KCNH2
SCHEMBL16183958 0.92 KCNA5 (0.49) PDE5AKCNA5KCNH2PIP4K2CJAK2
SCHEMBL16183960 0.90 PDE5A (0.51) PDE5AKCNA5KCNH2PIP4K2CJAK2
SCHEMBL16183956 0.90 PDE5A (0.53) PDE5AKCNA5KCNH2PIP4K2CJAK2
SCHEMBL14474596 0.88 KCNA5 (0.61) PDE5AKCNA5USP1WDR48KCNH2
SCHEMBL16183961 0.88 PDE5A (0.51) PDE5AKCNA5KCNH2PIP4K2CJAK2
SCHEMBL16183954 0.87 PDE5A (0.53) PDE5AKCNA5KCNH2JAK2LCK
SCHEMBL17212407 0.86 PDE5A (0.68) PDE5AKCNA5USP1WDR48KCNH2
SCHEMBL16183726 0.83 CYP1A2 (0.45) PDE5AUSP1WDR48MAPTKDM4E

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
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-10-23 — — US disclosed
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-10-23 — — 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-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP2CA, PPP4C, PPP3CB PDE5A 704/4885KCNA5 4457/4885USP1 2108/4885

“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.

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