SCHEMBL17201233

SCHEMBL17201233

COC(=O)c1cc(Cc2ccc(-c3cn(C)nn3)cc2)c(C)c(C)c1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 4/20 0.35
▸ GSK3B P49841 2/20 0.35
▸ DYRK1A Q13627 2/20 0.35
▸ CD74 P04233 1/20 0.34
▸ MIF P14174 1/20 0.34
▸ HAT1 O14929 1/20 0.33
▸ EP300 Q09472 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ NLRP3 Q96P20 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
SCHEMBL17201020 0.88 CHRM1 (0.41) —
SCHEMBL20636686 0.86 BRD4 (0.41) BRD4CD74MIFNLRP3
SCHEMBL17201310 0.82 BRD4 (0.38) BRD4GSK3BDYRK1ACD74MIF
SCHEMBL17201244 0.81 CD74 (0.41) BRD4GSK3BDYRK1ACD74MIF
SCHEMBL17201175 0.80 PDE3B (0.36) —
SCHEMBL17201183 0.80 LMNA (0.37) —
SCHEMBL17201028 0.80 BRD4 (0.39) BRD4GSK3BDYRK1ACD74MIF
SCHEMBL20636688 0.80 BRD4 (0.41) BRD4GSK3BDYRK1A
SCHEMBL17201109 0.78 CHRM1 (0.36) —
SCHEMBL17201017 0.77 EPHX2 (0.36) NLRP3

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260092052-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2026-04-02 — — US disclosed
US-20240109874-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2024-04-04 — — US disclosed
US-20220411413-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2022-12-29 — — US disclosed
US-20210009572-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2021-01-14 — — US disclosed
US-10865200-B2 Nitrogen-containing heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-12-15 — — US disclosed
EP-3134386-B1 ISOINDOLINE-1-ONE DERIVATIVES AS CHOLINERGIC MUSCARINIC M1 RECEPTOR POSITIVE ALLOESTERIC MODULATOR ACTIVITY FOR THE TREATMENT OF ALZHEIMERS DISEASE TAKEDA PHARMACEUTICALS CO (JP) 2020-05-20 — — EP disclosed
US-10457670-B2 Isoindoline-1-one derivatives as cholinergic muscarinic M1 receptor positive alloesteric modulator activity for the treatment of Alzheimers disease TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-10-29 — — US disclosed
US-20190241547-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2019-08-08 — — US disclosed
US-20180346452-A1 ISOINDOLINE-1-ONE DERIVATIVES AS CHOLINERGIC MUSCARINIC M1 RECEPTOR POSITIVE ALLOESTERIC MODULATOR ACTIVITY FOR THE TREATMENT OF ALZHEIMERS DISEASE TAKEDA PHARMACEUTICALS CO (JP) 2018-12-06 — — US disclosed
US-9868725-B2 Isoindoline-1-one derivatives as cholinergic muscarinic M1 receptor positive alloesteric modulator activity for the treatment of Alzheimer's disease TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-01-16 — — US disclosed
US-20170100384-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2017-04-13 — — US disclosed
US-20170100373-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2017-04-13 — — US disclosed
US-20170044143-A1 ISOINDOLINE-1-ONE DERIVATIVES AS CHOLINERGIC MUSCARINIC M1 RECEPTOR POSITIVE ALLOESTERIC MODULATOR ACTIVITY FOR THE TREATMENT OF ALZHEIMERS DISEASE TAKEDA PHAMACEUTICAL COMPANY LIMITED (JP) 2017-02-16 — — US disclosed
US-20170027921-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2017-02-02 — — US disclosed
US-9518042-B2 Nitrogen-containing heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-12-13 — — US disclosed
US-9499516-B2 Nitrogen-containing heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-11-22 — — US disclosed
US-20160152598-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL (JP) 2016-06-02 — — US disclosed
US-20160152603-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL (JP) 2016-06-02 — — US disclosed
US-9315458-B2 Nitrogen-containing heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) 2016-04-19 — — US disclosed
US-20150307451-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-10-29 — — US 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 (15 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-20160152598-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CHRM1, CHRM5, CHRM2 BRD4 591/4885GSK3B 1823/4885DYRK1A 2414/4885
US-10865200-B2 Nitrogen-containing heterocyclic compound CHRM1, CHRM5, CHRM2 BRD4 591/4885GSK3B 1823/4885DYRK1A 2414/4885
US-20160152603-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CHRM1, CHRM5, CHRM2 BRD4 591/4885GSK3B 1823/4885DYRK1A 2414/4885
US-20170100384-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CHRM1, CHRM5, CHRM2 BRD4 591/4885GSK3B 1823/4885DYRK1A 2414/4885
US-20240109874-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CHRM1, CHRM5, CHRM2 BRD4 591/4885GSK3B 1823/4885DYRK1A 2414/4885
US-20260092052-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CHRM1, CHRM2, CHRM4 BRD4 546/4885GSK3B 1608/4885DYRK1A 3313/4885
US-20220411413-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CHRM1, CHRM5, CHRM2 BRD4 591/4885GSK3B 1823/4885DYRK1A 2414/4885
US-20180346452-A1 ISOINDOLINE-1-ONE DERIVATIVES AS CHOLINERGIC MUSCARINIC M1 RECEPTOR POSITIVE ALLOESTERIC MODULATOR ACTIVITY FOR THE TREATMENT OF ALZHEIMERS DISEASE CHRM1, CHRM2, CHRM5 BRD4 1583/4885GSK3B 1480/4885DYRK1A 2062/4885
US-20170027921-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CHRM1, CHRM5, CHRM2 BRD4 591/4885GSK3B 1823/4885DYRK1A 2414/4885
US-20210009572-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CHRM1, CHRM5, CHRNA5 BRD4 599/4885GSK3B 1730/4885DYRK1A 2106/4885
US-20190241547-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CHRM1, CHRM5, CHRM2 BRD4 591/4885GSK3B 1823/4885DYRK1A 2414/4885
US-20170044143-A1 ISOINDOLINE-1-ONE DERIVATIVES AS CHOLINERGIC MUSCARINIC M1 RECEPTOR POSITIVE ALLOESTERIC MODULATOR ACTIVITY FOR THE TREATMENT OF ALZHEIMERS DISEASE CHRM1, CHRM2, CHRM5 BRD4 1565/4885GSK3B 1486/4885DYRK1A 2093/4885
US-10457670-B2 Isoindoline-1-one derivatives as cholinergic muscarinic M1 receptor positive alloesteric modulator activity for the treatment of Alzheimers disease CHRM1, CHRM2, CHRM5 BRD4 1583/4885GSK3B 1480/4885DYRK1A 2062/4885
US-20150307451-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CHRM1, CHRM5, CHRM2 BRD4 591/4885GSK3B 1823/4885DYRK1A 2414/4885
US-20170100373-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CHRM1, CHRM5, CHRM2 BRD4 591/4885GSK3B 1823/4885DYRK1A 2414/4885

“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.

Send feedback