SCHEMBL22729650

SCHEMBL22729650

Cc1cn(C)c(=O)c2c(C(=O)NC3CCC(F)(F)CC3)cn(C)c12

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
TAF1 P21675 1/20 0.40
CECR2 Q9BXF3 1/20 0.40
BRD9 Q9H8M2 1/20 0.40
KDM1A O60341 5/20 0.40
HSD11B1 P28845 1/20 0.39
MAOA P21397 6/20 0.38
GSK3B P49841 5/20 0.37
DYRK1A Q13627 5/20 0.37
MAOB P27338 1/20 0.37
EPHX2 P34913 1/20 0.36
NAMPT P43490 1/20 0.35

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
SCHEMBL22729800 0.86 ALDH1A1 (0.55) ALDH1A1
SCHEMBL22729861 0.83 TAF1 (0.42) ALDH1A1TAF1CECR2BRD9
SCHEMBL22729822 0.82 ALDH1A1 (0.46) ALDH1A1TAF1CECR2BRD9
SCHEMBL22729760 0.81 TAF1 (0.42) ALDH1A1TAF1CECR2BRD9
SCHEMBL23116394 0.81 TAF1 (0.42) ALDH1A1TAF1CECR2BRD9
SCHEMBL22729682 0.79 LIPG (0.53) ALDH1A1TAF1CECR2BRD9
SCHEMBL22729689 0.79 TAF1 (0.43) ALDH1A1TAF1CECR2BRD9
SCHEMBL22729552 0.78 TAF1 (0.44) ALDH1A1TAF1CECR2BRD9EPHX2
SCHEMBL23116405 0.77 ALDH1A1 (0.40) ALDH1A1TAF1CECR2BRD9
SCHEMBL23116406 0.77 ALDH1A1 (0.40) ALDH1A1TAF1CECR2BRD9

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
US-11459325-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-10-04 US disclosed
US-20210087186-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-03-25 US disclosed
US-20210087186-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-03-25 US disclosed
EP-3747885-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2020-12-09 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 (2 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-20210087186-A1 HETEROCYCLIC COMPOUND GBA1, GBA2, GALC ALDH1A1 2626/4885TAF1 3412/4885CECR2 1109/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC ALDH1A1 2660/4885TAF1 3452/4885CECR2 1083/4885

“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.