SCHEMBL10004424

SCHEMBL10004424

CCOC(=O)c1c(OC(C)C)c2c(=O)[nH]c(C(C)C)nc2n1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.39
▸ ALDH1A1 P00352 6/20 0.36
▸ KDM4E B2RXH2 4/20 0.36
▸ GAA P10253 3/20 0.36
▸ POLB P06746 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HSD17B10 Q99714 2/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ GABRP O00591 1/20 0.34
▸ GABRD O14764 1/20 0.34
▸ GABRA1 P14867 1/20 0.34
▸ GABRB1 P18505 1/20 0.34
▸ GABRG2 P18507 1/20 0.34
▸ GABRB3 P28472 1/20 0.34
▸ GABRA5 P31644 1/20 0.34
▸ GABRA3 P34903 1/20 0.34

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
SCHEMBL10004958 0.87 HPGD (0.39) HPGDALDH1A1KDM4EGAAPOLB
SCHEMBL10004021 0.76 MAPT (0.37) HPGDCYP1A2CYP2C9CYP2C19HSD17B10
SCHEMBL10004001 0.75 MAPT (0.43) HPGDALDH1A1KDM4EGAAPOLB
SCHEMBL10004297 0.74 TAS2R14 (0.40) HPGDALDH1A1KDM4EGAACYP1A2
SCHEMBL10004739 0.74 CCNE2 (0.34) HPGDALDH1A1KDM4EPOLBCYP1A2
SCHEMBL10004570 0.72 HKDC1 (0.48) HPGDALDH1A1KDM4EGAAPOLB
SCHEMBL10003748 0.71 KMT2A (0.43) ALDH1A1GAAPOLBHSD17B10KMT2A
SCHEMBL10004180 0.70 HPGD (0.39) HPGDALDH1A1KDM4EGAAPOLB
SCHEMBL10004427 0.69 KDM4E (0.36) HPGDALDH1A1KDM4EGAAPOLB
SCHEMBL10003785 0.68 ALDH1A1 (0.39) ALDH1A1KDM4EGAAPOLBCYP2C9

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 HPGD 539/4885ALDH1A1 321/4885KDM4E 405/4885

“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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