SCHEMBL12843966

SCHEMBL12843966

Cc1cnc(-c2ccc3c(CONC4CC5CC4CN5C)n[nH]c3c2)s1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 1/20 0.35
▸ P2RX2 Q9UBL9 1/20 0.35
▸ GSK3B P49841 2/20 0.34
▸ DYRK1A Q13627 2/20 0.34
▸ BACE1 P56817 1/20 0.30

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
SCHEMBL12844071 0.93 GSK3B (0.39) P2RX3P2RX2GSK3BDYRK1A
SCHEMBL12843967 0.86 CHEK1 (0.36) BACE1
SCHEMBL12844169 0.85 HAO1 (0.30) —
SCHEMBL2088082 0.81 DYRK1A (0.45) P2RX3P2RX2GSK3BDYRK1A
SCHEMBL12844346 0.78 HAO1 (0.33) GSK3BDYRK1A
SCHEMBL12514844 0.78 CHRNA7 (0.36) —
SCHEMBL12515272 0.78 GSK3B (0.37) GSK3B
SCHEMBL12844356 0.77 TRPA1 (0.38) GSK3B
SCHEMBL12844350 0.77 DYRK1A (0.35) GSK3BDYRK1A
SCHEMBL2087210 0.76 DYRK1A (0.51) GSK3BDYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902217-B2 Indoles, 1H-indazoles, 1,2-benzisoxazoles, 1,2-benzoisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2011-03-08 — — US disclosed
US-20090118232-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF XIE WENGE 2009-05-07 — — US 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 (1 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-20090118232-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA2 P2RX3 27/4885P2RX2 32/4885GSK3B 920/4885

“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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