SCHEMBL2218365

SCHEMBL2218365

CN1C2CCC1CC(NC(=O)n1ncc3cc(C4=CCOCC4)ccc31)C2

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 1/20 0.39
▸ DYRK1A Q13627 1/20 0.39
▸ PIK3CA P42336 1/20 0.38
▸ MTOR P42345 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ HTR3A P46098 6/20 0.36
▸ HTR4 Q13639 3/20 0.36
▸ TMEM97 Q5BJF2 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36
▸ HTR1D P28221 1/20 0.36
▸ IDH1 O75874 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
SCHEMBL5252333 0.73 GSK3B (0.48) GSK3BDYRK1AALDH1A1CYP3A4TSHR
SCHEMBL2086344 0.73 DYRK1A (0.66) GSK3BDYRK1A
SCHEMBL2088884 0.73 DYRK1A (0.56) GSK3BDYRK1AALDH1A1CYP3A4TSHR
SCHEMBL2086317 0.72 HTR4 (0.38) PIK3CAMTORALDH1A1CYP3A4TSHR
SCHEMBL12515208 0.72 HTR4 (0.38) GSK3BDYRK1APIK3CAMTORALDH1A1
SCHEMBL12843957 0.72 HTR4 (0.38) GSK3BDYRK1APIK3CAMTORALDH1A1
SCHEMBL13945574 0.72 HTR4 (0.38) GSK3BDYRK1APIK3CAMTORALDH1A1
SCHEMBL12515207 0.72 HTR4 (0.38) GSK3BDYRK1APIK3CAMTORALDH1A1
SCHEMBL2088552 0.70 DYRK1A (0.62) GSK3BDYRK1A
SCHEMBL2087356 0.70 DYRK1A (0.62) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110178075-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF XIE WENGE 2011-07-21 — — 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-20110178075-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA2 GSK3B 920/4885DYRK1A 1558/4885PIK3CA 3467/4885

“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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