SCHEMBL2219297

SCHEMBL2219297

Cc1csc(Cc2ccc3c(C(=O)NC4CC5CCCC(C4)N5C)n[nH]c3c2)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 1/20 0.47
▸ DYRK1A Q13627 1/20 0.47
▸ HTR3A P46098 15/20 0.45
▸ HTR3E A5X5Y0 1/20 0.43
▸ SLC22A2 O15244 1/20 0.43
▸ HTR3B O95264 1/20 0.43
▸ CHRNB2 P17787 1/20 0.43
▸ CHRNA3 P32297 1/20 0.43
▸ CHRNA4 P43681 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ HTR3D Q70Z44 1/20 0.43
▸ HTR3C Q8WXA8 1/20 0.43
▸ SLC47A1 Q96FL8 1/20 0.43
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40

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
SCHEMBL2086702 0.84 DYRK1A (0.54) GSK3BDYRK1AHTR3AHTR3ESLC22A2
SCHEMBL2086700 0.84 DYRK1A (0.54) GSK3BDYRK1AHTR3AHTR3ESLC22A2
SCHEMBL2087492 0.79 DYRK1A (0.55) GSK3BDYRK1AHTR3AHTR3ESLC22A2
SCHEMBL2088278 0.79 DYRK1A (0.63) GSK3BDYRK1A
SCHEMBL2087246 0.79 DYRK1A (0.63) GSK3BDYRK1A
SCHEMBL2086418 0.78 GSK3B (0.56) GSK3BDYRK1AHTR3AHTR3ESLC22A2
SCHEMBL2086417 0.78 GSK3B (0.56) GSK3BDYRK1AHTR3AHTR3ESLC22A2
SCHEMBL12441864 0.78 GSK3B (0.56) GSK3BDYRK1AHTR3AHTR3ESLC22A2
SCHEMBL2086192 0.77 HTR3A (0.68) GSK3BDYRK1AHTR3AHTR3ESLC22A2
SCHEMBL2086190 0.77 HTR3A (0.68) GSK3BDYRK1AHTR3AHTR3ESLC22A2

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 1558/4885HTR3A 61/4885

“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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