SCHEMBL20636686

SCHEMBL20636686

COC(=O)c1cc(Cc2ccc(-c3cn(C)nn3)cc2)c(C)c(C)c1OC

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 6/20 0.41
▸ CD74 P04233 1/20 0.39
▸ MIF P14174 1/20 0.39
▸ NLRP3 Q96P20 1/20 0.39
▸ SNCA P37840 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL20636688 0.91 BRD4 (0.41) BRD4SNCAMEN1NPC1RAB9A
SCHEMBL17201244 0.89 CD74 (0.41) BRD4CD74MIFNLRP3
SCHEMBL17201310 0.87 BRD4 (0.38) BRD4CD74MIFNLRP3
SCHEMBL17201233 0.86 BRD4 (0.35) BRD4CD74MIFNLRP3
SCHEMBL17201028 0.85 BRD4 (0.39) BRD4CD74MIFNLRP3
SCHEMBL23698915 0.84 BRD4 (0.39) BRD4CD74MIFNLRP3
SCHEMBL23698849 0.83 BRD4 (0.37) BRD4CD74MIFNLRP3
SCHEMBL20636653 0.82 CHRM1 (0.55) —
SCHEMBL20636654 0.82 CHRM1 (0.55) —
SCHEMBL20636651 0.82 CHRM1 (0.55) —

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-3428150-B1 AROMATIC RING COMPOUND HAVING A CHOLINERGIC MUSCARINE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATOR ACTIVITY TAKEDA PHARMACEUTICALS CO (JP) 2023-07-12 — — EP disclosed
US-10548877-B2 Aromatic ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-02-04 — — US disclosed
US-20190083467-A1 AROMATIC RING COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-03-21 — — US disclosed
EP-3428150-A1 AROMATIC RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2019-01-16 — — 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-20190083467-A1 AROMATIC RING COMPOUND CHRM1, CHRM2, CHRM4 BRD4 503/4885CD74 3634/4885MIF 2612/4885
US-10548877-B2 Aromatic ring compound CHRM1, CHRM2, CHRM4 BRD4 503/4885CD74 3634/4885MIF 2612/4885

“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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