SCHEMBL12844350

SCHEMBL12844350

CN1CC2CC1CC2NOCc1n[nH]c2cc(OC(F)F)ccc12

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 9/20 0.35
▸ GSK3B P49841 7/20 0.35
▸ PTGDR2 Q9Y5Y4 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
SCHEMBL12844356 0.89 TRPA1 (0.38) GSK3B
SCHEMBL12514844 0.81 CHRNA7 (0.36) —
SCHEMBL2089184 0.81 DYRK1A (0.42) DYRK1AGSK3B
SCHEMBL12843967 0.77 CHEK1 (0.36) —
SCHEMBL12844169 0.77 HAO1 (0.30) —
SCHEMBL12843966 0.77 P2RX3 (0.35) DYRK1AGSK3B
SCHEMBL12515272 0.76 GSK3B (0.37) GSK3B
SCHEMBL2088600 0.72 CHRNA7 (0.42) DYRK1AGSK3B
SCHEMBL12844346 0.71 HAO1 (0.33) DYRK1AGSK3B
SCHEMBL12844071 0.71 GSK3B (0.39) DYRK1AGSK3B

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 DYRK1A 1558/4885GSK3B 920/4885PTGDR2 2175/4885

“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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