SCHEMBL14731283

SCHEMBL14731283

Cc1nc(-c2cccnc2)nc2ccc(-c3cc(F)cc(F)c3)c(C=N)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 5/20 0.40
▸ CYP11B1 P15538 4/20 0.38
▸ CYP11B2 P19099 3/20 0.38
▸ MAPT P10636 4/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ CYP1A2 P05177 3/20 0.37
▸ CYP3A4 P08684 3/20 0.37
▸ CYP2C19 P33261 3/20 0.37
▸ HSD17B10 Q99714 3/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ ABCG2 Q9UNQ0 1/20 0.37
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ POLB P06746 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ CLK1 P49759 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL14731288 0.88 CHRNB2 (0.45) PDE5ACYP11B1CYP11B2MAPTKDM4E
SCHEMBL14731298 0.82 CHRNB2 (0.47) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C19
SCHEMBL14731287 0.81 CYP11B2 (0.45) CYP11B1CYP11B2KDM4EMAPK1ABCG2
SCHEMBL16183288 0.77 CYP11B1 (0.40) PDE5ACYP11B1CYP11B2MAPTKDM4E
SCHEMBL19204123 0.74 CYP11B1 (0.42) PDE5ACYP11B1CYP11B2MAPTKDM4E
SCHEMBL16184290 0.74 CYP1A2 (0.52) PDE5AMAPTKDM4ECYP1A2CYP3A4
SCHEMBL17214445 0.74 PDE5A (0.47) PDE5ACYP11B1CYP11B2MAPTKDM4E
SCHEMBL14474620 0.73 PDE5A (0.43) PDE5ACYP11B1CYP11B2MAPTKDM4E
SCHEMBL16183833 0.71 CYP1A2 (0.48) PDE5AMAPTKDM4ECYP1A2CYP3A4
SCHEMBL14727666 0.69 CHRNB2 (0.46) PDE5ACYP11B1CYP11B2MAPTKDM4E

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 979/4885CYP11B1 3667/4885CYP11B2 3834/4885

“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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