SCHEMBL16183712

SCHEMBL16183712

Cc1ccccc1-c1ccc2nc(-c3cccnc3)nc(NCc3ccccn3)c2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 3/20 0.64
▸ KCNH2 Q12809 2/20 0.64
▸ PDE5A O76074 9/20 0.59
▸ USP1 O94782 1/20 0.58
▸ WDR48 Q8TAF3 1/20 0.58
▸ ALDH1A1 P00352 6/20 0.57
▸ CYP3A4 P08684 6/20 0.57
▸ HSD17B10 Q99714 6/20 0.57
▸ CYP1A2 P05177 5/20 0.57
▸ MEN1 O00255 4/20 0.57
▸ KMT2A Q03164 4/20 0.57
▸ GBA1 P04062 2/20 0.56
▸ CYP2D6 P10635 5/20 0.56
▸ TSHR P16473 5/20 0.56
▸ CYP2C19 P33261 5/20 0.56
▸ MAPK1 P28482 4/20 0.56
▸ USP2 O75604 3/20 0.56
▸ LMNA P02545 3/20 0.56
▸ CLK4 Q9HAZ1 3/20 0.56
▸ TP53 P04637 2/20 0.56

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
SCHEMBL16183943 0.93 KCNA5 (0.61) KCNA5KCNH2PDE5AUSP1WDR48
SCHEMBL16183944 0.92 PDE5A (0.64) KCNA5KCNH2PDE5AUSP1WDR48
SCHEMBL16183930 0.89 KCNA5 (0.58) KCNA5KCNH2PDE5AUSP1WDR48
SCHEMBL16183711 0.89 KCNA5 (0.66) KCNA5KCNH2PDE5AALDH1A1CYP3A4
SCHEMBL16183933 0.89 KCNA5 (0.64) KCNA5KCNH2PDE5AUSP1WDR48
SCHEMBL16183714 0.89 PDE5A (0.67) KCNA5KCNH2PDE5AALDH1A1CYP3A4
SCHEMBL16183692 0.88 KCNA5 (0.61) KCNA5KCNH2PDE5AUSP1WDR48
SCHEMBL16183713 0.88 PDE5A (0.66) KCNA5KCNH2PDE5AALDH1A1CYP3A4
SCHEMBL16183945 0.87 PDE5A (0.62) KCNA5KCNH2PDE5AALDH1A1CYP3A4
SCHEMBL16183948 0.87 PDE5A (0.62) KCNA5KCNH2PDE5AUSP1WDR48

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 KCNA5 4457/4885KCNH2 4620/4885PDE5A 704/4885

“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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