SCHEMBL20636688

SCHEMBL20636688

COc1c(C(=O)O)cc(Cc2ccc(-c3cn(C)nn3)cc2)c(C)c1C

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 9/20 0.41
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ STIM1 Q13586 2/20 0.37
▸ ORAI1 Q96D31 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ GSK3B P49841 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ SNCA P37840 1/20 0.35
▸ PPARG P37231 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
SCHEMBL20636686 0.91 BRD4 (0.41) BRD4MEN1KMT2ARAB9ANPC1
SCHEMBL23698896 0.84 AMPD3 (0.41) BRD4MEN1KMT2ARAB9ANPC1
SCHEMBL23698834 0.83 BRD4 (0.37) BRD4MEN1KMT2ARAB9ANPC1
SCHEMBL20636653 0.81 CHRM1 (0.55) —
SCHEMBL20636651 0.81 CHRM1 (0.55) —
SCHEMBL20636654 0.81 CHRM1 (0.55) —
SCHEMBL17201244 0.81 CD74 (0.41) BRD4GSK3BDYRK1A
SCHEMBL20636632 0.81 CHRM1 (0.56) —
SCHEMBL19353594 0.81 CHRM1 (0.56) —
SCHEMBL20636630 0.81 CHRM1 (0.56) —

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 503/4885MEN1 1622/4885KMT2A 374/4885
US-10548877-B2 Aromatic ring compound CHRM1, CHRM2, CHRM4 BRD4 503/4885MEN1 1622/4885KMT2A 374/4885

“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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