SCHEMBL16183940

SCHEMBL16183940

Clc1sccc1-c1ccc2nc(-c3cccnc3)nc(NCc3ccccn3)c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 3/20 0.58
▸ KCNH2 Q12809 2/20 0.58
▸ PDE5A O76074 11/20 0.55
▸ GBA1 P04062 3/20 0.55
▸ CYP1A2 P05177 3/20 0.51
▸ CYP3A4 P08684 3/20 0.51
▸ USP2 O75604 2/20 0.51
▸ CYP2D6 P10635 2/20 0.51
▸ TSHR P16473 2/20 0.51
▸ CYP2C19 P33261 2/20 0.51
▸ CLK4 Q9HAZ1 2/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ POLB P06746 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ ALDH1A1 P00352 3/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ JAK2 O60674 1/20 0.49
▸ LCK P06239 1/20 0.49

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
SCHEMBL16183933 0.87 KCNA5 (0.64) KCNA5KCNH2PDE5AGBA1CYP1A2
SCHEMBL16183685 0.86 KCNA5 (0.61) KCNA5KCNH2PDE5AGBA1CYP1A2
SCHEMBL16183711 0.86 KCNA5 (0.66) KCNA5KCNH2PDE5AGBA1CYP1A2
SCHEMBL16183935 0.85 PDE5A (0.67) KCNA5KCNH2PDE5AGBA1CYP1A2
SCHEMBL16183669 0.85 ALDH1A1 (0.63) KCNA5KCNH2PDE5AGBA1CYP1A2
SCHEMBL16183934 0.84 PDE5A (0.66) KCNA5KCNH2PDE5AGBA1CYP1A2
SCHEMBL16183691 0.84 KCNA5 (0.58) KCNA5KCNH2PDE5AGBA1CYP1A2
SCHEMBL16183939 0.84 PDE5A (0.55) KCNA5KCNH2PDE5AGBA1CYP1A2
SCHEMBL16183924 0.84 PDE5A (0.77) KCNA5KCNH2PDE5AGBA1CYP1A2
SCHEMBL16183712 0.84 KCNA5 (0.64) KCNA5KCNH2PDE5AGBA1CYP1A2

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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