SCHEMBL14731289

SCHEMBL14731289

C=C(C)Nc1nc(-c2cccnc2)nc2ccc(-c3cc(F)ccc3F)cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 8/20 0.52
▸ CYP1A2 P05177 2/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ HPGD P15428 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ ABCG2 Q9UNQ0 5/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ CLK1 P49759 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ POLB P06746 1/20 0.45
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CLK4 Q9HAZ1 1/20 0.43
▸ ADORA3 P0DMS8 1/20 0.43

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
SCHEMBL14475174 0.87 CYP1A2 (0.59) PDE5ACYP1A2CYP3A4CYP2C19HSD17B10
SCHEMBL14474580 0.84 CCNE2 (0.58) PDE5ACYP1A2CYP3A4CYP2C19HSD17B10
SCHEMBL16183677 0.81 MEN1 (0.69) PDE5ACYP1A2CYP3A4CYP2C19HSD17B10
SCHEMBL14474637 0.79 PDE5A (0.69) PDE5ACYP1A2CYP3A4CYP2C19HSD17B10
SCHEMBL14359191 0.79 CYP1A2 (0.59) PDE5ACYP1A2CYP3A4CYP2C19HSD17B10
SCHEMBL14475213 0.79 CYP1A2 (0.59) PDE5ACYP1A2CYP3A4CYP2C19HSD17B10
SCHEMBL14474646 0.78 PDE5A (0.59) PDE5ACYP1A2CYP3A4CYP2C19HSD17B10
SCHEMBL16183697 0.78 MEN1 (0.57) PDE5ACYP1A2CYP3A4CYP2C19HSD17B10
SCHEMBL16183644 0.78 CYP1A2 (0.58) PDE5ACYP1A2CYP3A4CYP2C19HSD17B10
SCHEMBL16183552 0.78 CYP1A2 (0.58) PDE5ACYP1A2CYP3A4CYP2C19HSD17B10

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL COMPANY (JP) 2013-02-28 — — 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-20130053341-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PPP3CB, PTPRG PDE5A 979/4885CYP1A2 4619/4885CYP3A4 4805/4885

“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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