SCHEMBL10004427

SCHEMBL10004427

CCOC(=O)c1c(OCC(F)(F)F)c2c(=O)[nH]c(CC)nc2n1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.36
▸ HPGD P15428 4/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ CYP1A2 P05177 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ ADORA3 P0DMS8 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ GABRP O00591 1/20 0.32
▸ GABRD O14764 1/20 0.32
▸ GABRA1 P14867 1/20 0.32
▸ GABRB1 P18505 1/20 0.32
▸ GABRG2 P18507 1/20 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
SCHEMBL10004180 0.89 HPGD (0.39) KDM4EHPGDALDH1A1HSD17B10CYP1A2
SCHEMBL10004243 0.88 CCNE1 (0.33) KDM4EHPGDL3MBTL1TP53ADORA3
SCHEMBL10004450 0.86 KDM4E (0.43) KDM4EHPGDALDH1A1HSD17B10CYP1A2
SCHEMBL10004958 0.82 HPGD (0.39) KDM4EHPGDALDH1A1HSD17B10CYP1A2
SCHEMBL10004371 0.78 SMO (0.41) ALDH1A1POLB
SCHEMBL10004263 0.78 HPGD (0.41) KDM4EHPGDALDH1A1HSD17B10CYP1A2
SCHEMBL10004547 0.78 TAS2R14 (0.37) KDM4EHPGDALDH1A1HSD17B10CYP1A2
SCHEMBL10003965 0.78 SMO (0.40) GABRA5
SCHEMBL10004001 0.78 MAPT (0.43) KDM4EHPGDALDH1A1HSD17B10CYP1A2
SCHEMBL1062298 0.77 SMO (0.37) KDM4EHPGDALDH1A1HSD17B10GAA

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 KDM4E 405/4885HPGD 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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