SCHEMBL16183734

SCHEMBL16183734

CCNc1nc(-c2cccnc2)nc2ccc(-c3cccc(F)c3)cc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 10/20 0.64
▸ GBA1 P04062 4/20 0.59
▸ ABCG2 Q9UNQ0 1/20 0.57
▸ POLB P06746 1/20 0.54
▸ CLK4 Q9HAZ1 2/20 0.53
▸ CYP1A2 P05177 3/20 0.51
▸ CYP3A4 P08684 3/20 0.51
▸ TSHR P16473 3/20 0.51
▸ MAPK1 P28482 3/20 0.51
▸ CYP2C19 P33261 3/20 0.51
▸ HSD17B10 Q99714 3/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ LMNA P02545 3/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ USP2 O75604 2/20 0.51
▸ CYP2D6 P10635 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ TDP1 Q9NUW8 2/20 0.51

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
SCHEMBL14475573 0.91 PDE5A (0.61) PDE5AGBA1CLK4CYP1A2CYP3A4
SCHEMBL16183737 0.88 GBA1 (0.64) PDE5AGBA1ABCG2POLBCLK4
SCHEMBL14475068 0.88 CYP1A2 (0.64) PDE5AGBA1ABCG2POLBCLK4
SCHEMBL14727823 0.88 PDE5A (0.62) PDE5AGBA1ABCG2POLBCLK4
SCHEMBL16183748 0.87 ALDH1A1 (0.67) PDE5AGBA1ABCG2POLBCLK4
SCHEMBL16183747 0.87 CYP1A2 (0.61) PDE5AGBA1ABCG2POLBCLK4
SCHEMBL16183738 0.85 GBA1 (0.61) PDE5AGBA1ABCG2POLBCLK4
SCHEMBL14727824 0.85 PDE5A (0.54) PDE5AGBA1ABCG2POLBCLK4
SCHEMBL14475553 0.85 MAPT (0.64) PDE5AGBA1ABCG2CLK4CYP1A2
SCHEMBL16183741 0.85 GBA1 (0.59) PDE5AGBA1ABCG2CLK4CYP1A2

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 704/4885GBA1 1316/4885ABCG2 1597/4885

“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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