SCHEMBL21873604

SCHEMBL21873604

COC(=O)c1cc(Cc2ccc(-c3cn(C)nn3)cc2)c2c(n1)CCO2

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 8/20 0.38
GSK3B P49841 4/20 0.36
DYRK1A Q13627 4/20 0.36
CHRM1 P11229 1/20 0.36
CD74 P04233 1/20 0.36
MIF P14174 1/20 0.36
WNT1 P04628 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
SCHEMBL30428362 1.00 BRD4 (0.38) BRD4GSK3BDYRK1ACHRM1CD74
SCHEMBL21873392 0.90 BRD4 (0.38) BRD4GSK3BDYRK1ACHRM1WNT1
SCHEMBL30427563 0.90 BRD4 (0.38) BRD4GSK3BDYRK1ACHRM1WNT1
SCHEMBL21873516 0.87 CHRM1 (0.47) CHRM1
SCHEMBL30427998 0.87 CHRM1 (0.47) CHRM1
SCHEMBL21873385 0.85 CHRM1 (0.45) CHRM1
SCHEMBL30428285 0.85 CHRM1 (0.45) CHRM1
SCHEMBL21936393 0.84 CHRM1 (0.48) BRD4CHRM1
SCHEMBL21935767 0.84 CHRM1 (0.55) BRD4CHRM1
SCHEMBL23698806 0.83 CD74 (0.37) BRD4GSK3BDYRK1ACD74MIF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12378256-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2025-08-05 US disclosed
EP-3643718-B1 HETEROCYCLIC COMPOUND AND ITS USE AS POSITIVE ALLOSTERIC MODULATOR OF THE CHOLINERGIC MUSCARINIC M1 RECEPTOR. TAKEDA PHARMACEUTICALS CO (JP) 2023-07-26 EP disclosed
US-11236099-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-02-01 US disclosed
US-20220017530-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-01-20 US disclosed
US-20210139491-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-05-13 US disclosed
EP-3643718-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2020-04-29 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 (4 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-20220017530-A1 HETEROCYCLIC COMPOUND SLC10A2, ALPI, VIP BRD4 376/4885GSK3B 4244/4885DYRK1A 4466/4885
US-12378256-B2 Heterocyclic compound SLC10A2, ALPI, VIP BRD4 376/4885GSK3B 4244/4885DYRK1A 4466/4885
US-20210139491-A1 HETEROCYCLIC COMPOUND SLC10A2, ALPI, VIP BRD4 376/4885GSK3B 4244/4885DYRK1A 4466/4885
US-11236099-B2 Heterocyclic compound SLC10A2, ALPI, VIP BRD4 376/4885GSK3B 4244/4885DYRK1A 4466/4885

“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.