SCHEMBL17434292

SCHEMBL17434292

C#CCn1c(=O)n(CC)c(=O)c2cc(N)ccc21

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ MAPT P10636 2/20 0.52
▸ GAA P10253 1/20 0.52
▸ GFER P55789 1/20 0.52
▸ KMT2A Q03164 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ HBB P68871 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ PARG Q86W56 14/20 0.44
▸ TSHR P16473 1/20 0.40
▸ EEF2K O00418 1/20 0.38

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
SCHEMBL17434204 0.95 ALDH1A1 (0.56) KDM4EALDH1A1MAPTGAAGFER
SCHEMBL17434453 0.87 ALDH1A1 (0.68) KDM4EALDH1A1MAPTGAAGFER
SCHEMBL17434486 0.86 KDM4E (0.52) KDM4EALDH1A1MAPTGAAGFER
SCHEMBL17434272 0.80 CYP1A2 (0.61) MAPTKMT2AMEN1PARGTSHR
SCHEMBL17434552 0.80 KDM4E (0.54) KDM4EALDH1A1MAPTGAAGFER
SCHEMBL17434525 0.80 KDM4E (0.54) KDM4EALDH1A1MAPTGAAGFER
SCHEMBL17434403 0.80 KDM4E (0.54) KDM4EALDH1A1MAPTGAAGFER
SCHEMBL23723240 0.79 ALDH1A1 (0.60) KDM4EALDH1A1MAPTGAAGFER
SCHEMBL17434536 0.79 KDM4E (0.50) KDM4EALDH1A1MAPTGAAGFER
SCHEMBL17434477 0.77 PARG (0.57) KDM4EALDH1A1MAPTGAAGFER

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 KDM4E 728/4885ALDH1A1 312/4885MAPT 3009/4885

“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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