SCHEMBL17434408

SCHEMBL17434408

CCn1c(=O)n(CCCOC)c(=O)c2cc(N)ccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARG Q86W56 3/20 0.53
▸ ALDH1A1 P00352 4/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ MAPT P10636 2/20 0.52
▸ GAA P10253 1/20 0.52
▸ GFER P55789 1/20 0.52
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ ADORA2A P29274 7/20 0.46
▸ ADORA2B P29275 7/20 0.46
▸ PDE4A P27815 1/20 0.46
▸ PDE4B Q07343 1/20 0.46
▸ PDE4C Q08493 1/20 0.46
▸ PDE4D Q08499 1/20 0.46
▸ HPGD P15428 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ HBB P68871 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL17434221 0.95 PARG (0.59) PARGALDH1A1KDM4EMAPTGAA
SCHEMBL17434290 0.92 ALDH1A1 (0.55) PARGALDH1A1KDM4EMAPTGAA
SCHEMBL17434477 0.87 PARG (0.57) PARGALDH1A1KDM4EMAPTGAA
SCHEMBL17434394 0.84 ALDH1A1 (0.57) PARGALDH1A1KDM4EMAPTGAA
SCHEMBL17434453 0.84 ALDH1A1 (0.68) PARGALDH1A1KDM4EMAPTGAA
SCHEMBL25724418 0.83 PARG (0.46) PARGALDH1A1KDM4EMEN1KMT2A
SCHEMBL17434458 0.82 ALDH1A1 (0.57) PARGALDH1A1KDM4EMAPTGAA
SCHEMBL16092736 0.82 MEN1 (0.65) PARGALDH1A1GAAMEN1KMT2A
SCHEMBL17434403 0.82 KDM4E (0.54) PARGALDH1A1KDM4EMAPTGAA
SCHEMBL17434506 0.81 CYP1A2 (0.57) PARGALDH1A1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9834520-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-12-05 — — US disclosed
US-20160229814-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-08-11 — — US disclosed
EP-2975031-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-01-20 — — 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-20160229814-A1 HETEROCYCLIC COMPOUND RORB, RORC, RORA PARG 4344/4885ALDH1A1 312/4885KDM4E 728/4885

“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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