SCHEMBL16183682

SCHEMBL16183682

N#Cc1cccc(-c2ccc3nc(-c4cccnc4)nc(NCc4ccccn4)c3c2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.62
▸ CYP1A2 P05177 6/20 0.62
▸ CYP3A4 P08684 6/20 0.62
▸ HSD17B10 Q99714 6/20 0.62
▸ MEN1 O00255 5/20 0.62
▸ KMT2A Q03164 5/20 0.62
▸ USP2 O75604 4/20 0.62
▸ MAPK1 P28482 4/20 0.62
▸ CLK4 Q9HAZ1 4/20 0.62
▸ CYP2C9 P11712 3/20 0.62
▸ TSHR P16473 3/20 0.62
▸ KCNA5 P22460 3/20 0.59
▸ KCNH2 Q12809 1/20 0.59
▸ CYP2D6 P10635 4/20 0.58
▸ HIF1A Q16665 3/20 0.58
▸ CYP2C19 P33261 3/20 0.58
▸ KDM4E B2RXH2 1/20 0.58
▸ HPGD P15428 1/20 0.58
▸ ABCG2 Q9UNQ0 1/20 0.55
▸ GBA1 P04062 2/20 0.55

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
SCHEMBL16183690 0.94 KCNA5 (0.58) ALDH1A1CYP1A2CYP3A4HSD17B10MEN1
SCHEMBL16183711 0.90 KCNA5 (0.66) ALDH1A1CYP1A2CYP3A4HSD17B10MEN1
SCHEMBL16183934 0.86 PDE5A (0.66) ALDH1A1CYP1A2CYP3A4HSD17B10MEN1
SCHEMBL16183713 0.86 PDE5A (0.66) ALDH1A1CYP1A2CYP3A4HSD17B10MEN1
SCHEMBL16183707 0.86 PDE5A (0.66) ALDH1A1CYP1A2CYP3A4HSD17B10MEN1
SCHEMBL16183708 0.86 PDE5A (0.68) ALDH1A1CYP1A2CYP3A4HSD17B10MEN1
SCHEMBL16183935 0.85 PDE5A (0.67) ALDH1A1CYP1A2CYP3A4HSD17B10MEN1
SCHEMBL16183714 0.85 PDE5A (0.67) ALDH1A1CYP1A2CYP3A4HSD17B10MEN1
SCHEMBL16183709 0.84 PDE5A (0.60) ALDH1A1CYP1A2CYP3A4HSD17B10MEN1
SCHEMBL16183710 0.84 PDE5A (0.63) ALDH1A1CYP1A2CYP3A4HSD17B10MEN1

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 ALDH1A1 1687/4885CYP1A2 2971/4885CYP3A4 4456/4885

“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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