SCHEMBL20477701

SCHEMBL20477701

Cc1c(Cc2ccc(-c3cnn(C)c3)nc2)cc2c(=O)n([C@@H]3CCC[C@H]3O)cnc2c1C

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 12/20 0.57
▸ KCNH2 Q12809 5/20 0.57
▸ ALOX5 P09917 1/20 0.57
▸ CYP2C9 P11712 1/20 0.57
▸ CYP11B1 P15538 1/20 0.43
▸ CYP11B2 P19099 1/20 0.43
▸ GRM2 Q14416 1/20 0.39

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
SCHEMBL20477700 1.00 CHRM1 (0.57) CHRM1KCNH2ALOX5CYP2C9CYP11B1
SCHEMBL20477703 1.00 CHRM1 (0.57) CHRM1KCNH2ALOX5CYP2C9CYP11B1
SCHEMBL19331052 0.98 CHRM1 (0.60) CHRM1KCNH2ALOX5CYP2C9CYP11B1
SCHEMBL20477776 0.92 KCNH2 (0.56) CHRM1KCNH2ALOX5CYP2C9
SCHEMBL20477777 0.92 KCNH2 (0.56) CHRM1KCNH2ALOX5CYP2C9
SCHEMBL20477779 0.92 KCNH2 (0.56) CHRM1KCNH2ALOX5CYP2C9
SCHEMBL23827746 0.90 CHRM1 (0.51) CHRM1KCNH2ALOX5CYP2C9CYP11B1
SCHEMBL21654995 0.90 CHRM1 (0.51) CHRM1KCNH2ALOX5CYP2C9CYP11B1
SCHEMBL30211626 0.90 CHRM1 (0.51) CHRM1KCNH2ALOX5CYP2C9CYP11B1
SCHEMBL20477731 0.89 CHRM1 (0.57) CHRM1KCNH2ALOX5CYP2C9GRM2

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 4 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-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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