SCHEMBL20477804

SCHEMBL20477804

COc1cc(Cc2ccc(-c3cnn(C)c3)cc2)cc2c(=O)n(C3CCCC3O)cnc12

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 5/20 0.51
▸ CHRM1 P11229 3/20 0.47
▸ ALOX5 P09917 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ ACVR2A P27037 1/20 0.37
▸ TGFBR2 P37173 1/20 0.37
▸ CCNC P24863 6/20 0.37
▸ CDK8 P49336 6/20 0.37
▸ AXL P30530 4/20 0.37
▸ MERTK Q12866 4/20 0.37
▸ CDK19 Q9BWU1 1/20 0.36
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ RET P07949 1/20 0.36

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
SCHEMBL20477800 1.00 KCNH2 (0.51) KCNH2CHRM1ALOX5CYP2C9ACVR2A
SCHEMBL20477802 1.00 KCNH2 (0.51) KCNH2CHRM1ALOX5CYP2C9ACVR2A
SCHEMBL20477705 0.84 KCNH2 (0.50) KCNH2CHRM1ALOX5CYP2C9TGFBR2
SCHEMBL20477702 0.84 KCNH2 (0.50) KCNH2CHRM1ALOX5CYP2C9TGFBR2
SCHEMBL20477698 0.84 KCNH2 (0.50) KCNH2CHRM1ALOX5CYP2C9TGFBR2
SCHEMBL20477779 0.83 KCNH2 (0.56) KCNH2CHRM1ALOX5CYP2C9CCNC
SCHEMBL20477776 0.83 KCNH2 (0.56) KCNH2CHRM1ALOX5CYP2C9CCNC
SCHEMBL20477777 0.83 KCNH2 (0.56) KCNH2CHRM1ALOX5CYP2C9CCNC
SCHEMBL19127453 0.80 CHRM1 (0.62) KCNH2CHRM1ALOX5CYP2C9AXL
SCHEMBL23128631 0.78 KCNH2 (0.47) KCNH2CHRM1ALOX5CYP2C9

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 KCNH2 351/4885CHRM1 1/4885ALOX5 1485/4885
US-10548899-B2 Quinazolinone and benzotriazinone compounds with cholinergic muscarinin M1 receptor positive allosteric modulator activity CHRM1, CHRM2, CHRM5 KCNH2 127/4885CHRM1 1/4885ALOX5 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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