SCHEMBL21873576

SCHEMBL21873576

Cc1cc2nc(C(=O)O)cc(Cc3ccc(-c4cn(C)nn4)nc3)c2o1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 8/20 0.37
IGFBP5 P24593 2/20 0.34
IGFBP3 P17936 1/20 0.34
CHRM1 P11229 2/20 0.34
KDM4E B2RXH2 1/20 0.33
KDM4A O75164 1/20 0.33
KDM5C P41229 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM2A Q9Y2K7 1/20 0.33
KDM3A Q9Y4C1 1/20 0.33

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
SCHEMBL21873408 0.88 BRD4 (0.38) BRD4IGFBP5IGFBP3
SCHEMBL30428105 0.88 BRD4 (0.38) BRD4IGFBP5IGFBP3
SCHEMBL21873639 0.86 BRD4 (0.37) BRD4IGFBP5IGFBP3CHRM1KDM4E
SCHEMBL21935771 0.84 CHRM1 (0.55) BRD4CHRM1
SCHEMBL21873450 0.81 CHRM1 (0.49) CHRM1
SCHEMBL21873419 0.77 PIM1 (0.47) CHRM1
SCHEMBL30428540 0.77 PIM1 (0.47) CHRM1
SCHEMBL21873436 0.76 BRD4 (0.37) BRD4CHRM1KDM4EKDM4AKDM5C
SCHEMBL21873422 0.73 BRD4 (0.39) BRD4IGFBP5IGFBP3CHRM1
SCHEMBL30428352 0.73 BRD4 (0.39) BRD4IGFBP5IGFBP3CHRM1

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 376/4885IGFBP5 1056/4885IGFBP3 2894/4885
US-12378256-B2 Heterocyclic compound SLC10A2, ALPI, VIP BRD4 376/4885IGFBP5 1056/4885IGFBP3 2894/4885
US-20210139491-A1 HETEROCYCLIC COMPOUND SLC10A2, ALPI, VIP BRD4 376/4885IGFBP5 1056/4885IGFBP3 2894/4885
US-11236099-B2 Heterocyclic compound SLC10A2, ALPI, VIP BRD4 376/4885IGFBP5 1056/4885IGFBP3 2894/4885

“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.