SCHEMBL20477766

SCHEMBL20477766

Cc1c(Cc2ccc(-c3cn(C)nn3)cc2)cc2c(=O)n([C@@H]3CCC[C@H]3O)cnc2c1C

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 8/20 0.53
▸ KCNH2 Q12809 5/20 0.53
▸ ALOX5 P09917 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ DPP4 P27487 2/20 0.35
▸ GSK3B P49841 4/20 0.33
▸ DYRK1A Q13627 4/20 0.33
▸ WNT1 P04628 3/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ PDE11A Q9HCR9 1/20 0.32
▸ SRC P12931 1/20 0.32

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
SCHEMBL20477767 1.00 CHRM1 (0.53) CHRM1KCNH2ALOX5CYP2C9DPP4
SCHEMBL20477765 1.00 CHRM1 (0.53) CHRM1KCNH2ALOX5CYP2C9DPP4
SCHEMBL20477731 0.91 CHRM1 (0.57) CHRM1KCNH2ALOX5CYP2C9BRD4
SCHEMBL20477733 0.91 CHRM1 (0.57) CHRM1KCNH2ALOX5CYP2C9BRD4
SCHEMBL20477734 0.91 CHRM1 (0.57) CHRM1KCNH2ALOX5CYP2C9BRD4
SCHEMBL23827775 0.90 CHRM1 (0.44) CHRM1KCNH2ALOX5CYP2C9PDE11A
SCHEMBL30211599 0.90 CHRM1 (0.44) CHRM1KCNH2ALOX5CYP2C9PDE11A
SCHEMBL20477724 0.89 CHRM1 (0.54) CHRM1KCNH2ALOX5CYP2C9
SCHEMBL20477726 0.89 CHRM1 (0.54) CHRM1KCNH2ALOX5CYP2C9
SCHEMBL20477725 0.89 CHRM1 (0.54) CHRM1KCNH2ALOX5CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3366679-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2021-03-24 — — EP disclosed
US-10548899-B2 Quinazolinone and benzotriazinone compounds with cholinergic muscarinin M1 receptor positive allosteric modulator activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-02-04 — — US disclosed
US-10548899-B2 Quinazolinone and benzotriazinone compounds with cholinergic muscarinin M1 receptor positive allosteric modulator activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-02-04 — — US disclosed
US-20180303841-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-10-25 — — US disclosed
EP-3366679-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2018-08-29 — — 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 (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-20180303841-A1 HETEROCYCLIC COMPOUND CHRM1, CHRM2, CHRM5 CHRM1 1/4885KCNH2 351/4885ALOX5 1485/4885
US-10548899-B2 Quinazolinone and benzotriazinone compounds with cholinergic muscarinin M1 receptor positive allosteric modulator activity CHRM1, CHRM2, CHRM5 CHRM1 1/4885KCNH2 127/4885ALOX5 4353/4885

“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.

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