SCHEMBL10003985

SCHEMBL10003985

CCOc1c(C(=O)O)n(C)c2nc(C)[nH]c(=O)c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 3/20 0.36
▸ HPGD P15428 4/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ GAA P10253 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ CDK4 P11802 3/20 0.33
▸ CCND1 P24385 3/20 0.33
▸ HTT P42858 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CCNE2 O96020 1/20 0.33
▸ CCNE1 P24864 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ PDE2A O00408 1/20 0.33
▸ PDE1A P54750 1/20 0.33
▸ PDE1B Q01064 1/20 0.33
▸ PDE1C Q14123 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.32

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
SCHEMBL10004001 0.89 MAPT (0.43) PDE5AHPGDALDH1A1GAAMAPT
SCHEMBL10004091 0.85 CDK4 (0.35) HPGDALDH1A1HSD17B10CDK4CCND1
SCHEMBL10004072 0.82 PDE1A (0.38) PDE5AHPGDCDK4CCND1KMT2A
SCHEMBL10004180 0.78 HPGD (0.39) HPGDALDH1A1GAAMAPTALOX15
SCHEMBL10003754 0.70 TSHR (0.49) HPGDALDH1A1GAAMAPTHSD17B10
SCHEMBL10004427 0.67 KDM4E (0.36) HPGDALDH1A1GAAHSD17B10KMT2A
SCHEMBL10004450 0.66 KDM4E (0.43) HPGDALDH1A1GAAHSD17B10HTT
SCHEMBL10004958 0.65 HPGD (0.39) PDE5AHPGDALDH1A1GAAMAPT
SCHEMBL10004424 0.65 HPGD (0.39) PDE5AHPGDALDH1A1GAAMAPT
SCHEMBL10004185 0.64 MAPT (0.58) HPGDALDH1A1GAAMAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2471793-B1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2016-10-05 — — EP disclosed
US-8614208-B2 Fused heterocyclic ring derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-12-24 — — US disclosed
US-20120214795-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-23 — — US disclosed
EP-2471793-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-07-04 — — EP 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-20120214795-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF SMO, GLI1, SHH PDE5A 187/4885HPGD 539/4885ALDH1A1 321/4885

“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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