SCHEMBL22729754

SCHEMBL22729754

Cc1cn(C)c(=O)c2cc[nH]c12

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 11/20 0.51
BRD9 Q9H8M2 4/20 0.48
CECR2 Q9BXF3 4/20 0.44
TAF1 P21675 3/20 0.44
BRPF1 P55201 1/20 0.44
CREBBP Q92793 1/20 0.44

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
SCHEMBL13329893 0.85 BRD4 (0.59) BRD4BRD9CECR2TAF1BRPF1
SCHEMBL20385458 0.84 BRD9 (0.48) BRD4BRD9CECR2TAF1BRPF1
SCHEMBL19871750 0.74 BRD4 (0.55) BRD4BRD9CECR2TAF1BRPF1
SCHEMBL22600098 0.73 BRD4 (0.58) BRD4BRD9CECR2TAF1BRPF1
SCHEMBL22516602 0.73 BRD4 (0.58) BRD4BRD9CECR2TAF1BRPF1
SCHEMBL15069208 0.73 BRD4 (0.58) BRD4BRD9CECR2TAF1BRPF1
SCHEMBL24556455 0.71 BRD4 (0.56) BRD4BRD9CECR2TAF1BRPF1
SCHEMBL31590544 0.71 BRD4 (0.65) BRD4BRD9CECR2TAF1BRPF1
SCHEMBL31590651 0.71 BRD4 (0.66) BRD4BRD9CECR2TAF1BRPF1
SCHEMBL22729820 0.70 BRD4 (0.42) BRD4BRD9CECR2

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-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
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 BRD4 1170/4885BRD9 2497/4885CECR2 1109/4885
US-11459325-B2 Heterocyclic compound GBA1, GBA2, GALC BRD4 1201/4885BRD9 2508/4885CECR2 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.