SCHEMBL16183952

SCHEMBL16183952

COc1cc(F)cc(-c2ccc3c(NCc4ccccn4)nc(-c4cccnc4)nc3c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 6/20 0.54
▸ MAPT P10636 2/20 0.54
▸ KCNA5 P22460 3/20 0.53
▸ KCNH2 Q12809 2/20 0.53
▸ CYP1A2 P05177 5/20 0.52
▸ CYP3A4 P08684 5/20 0.52
▸ CYP2D6 P10635 4/20 0.52
▸ CYP2C19 P33261 4/20 0.52
▸ USP2 O75604 3/20 0.52
▸ LMNA P02545 3/20 0.52
▸ TSHR P16473 3/20 0.52
▸ CLK4 Q9HAZ1 3/20 0.52
▸ HSD17B10 Q99714 3/20 0.52
▸ CYP2C9 P11712 2/20 0.52
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ MAPK1 P28482 2/20 0.51
▸ GBA1 P04062 2/20 0.51
▸ POLB P06746 1/20 0.50
▸ ALDH1A1 P00352 2/20 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
SCHEMBL16183716 0.91 PDE5A (0.62) PDE5AMAPTKCNA5KCNH2CYP1A2
SCHEMBL16183951 0.89 PDE5A (0.57) PDE5AMAPTKCNA5KCNH2CYP1A2
SCHEMBL16183950 0.86 CYP1A2 (0.56) PDE5AMAPTKCNA5KCNH2CYP1A2
SCHEMBL16183717 0.85 PDE5A (0.66) PDE5AMAPTKCNA5KCNH2CYP1A2
SCHEMBL16183715 0.84 PDE5A (0.59) PDE5AMAPTKCNA5KCNH2CYP1A2
SCHEMBL16183710 0.84 PDE5A (0.63) PDE5AKCNA5KCNH2CYP1A2CYP3A4
SCHEMBL14475975 0.84 CYP1A2 (0.56) PDE5AMAPTCYP1A2CYP3A4CYP2D6
SCHEMBL14475114 0.84 MAPT (0.65) PDE5AMAPTKCNA5KCNH2CYP1A2
SCHEMBL16183941 0.83 MEN1 (0.62) PDE5AMAPTKCNA5KCNH2CYP1A2
SCHEMBL16183718 0.83 USP1 (0.60) PDE5AMAPTKCNA5KCNH2CYP1A2

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 704/4885MAPT 509/4885KCNA5 4457/4885

“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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