SCHEMBL2088481

SCHEMBL2088481

COc1cccc(CNC(=O)Nc2ccc3c(C(=O)NC4CC5CCC(C4)N5C)n[nH]c3c2)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.54
PRKACA P17612 1/20 0.50
PRKACG P22612 1/20 0.50
PRKACB P22694 1/20 0.50
FLT3 P36888 1/20 0.47
GSK3B P49841 1/20 0.46
DYRK1A Q13627 1/20 0.46
HTR3A P46098 3/20 0.46
ROCK2 O75116 8/20 0.45
HTR1A P08908 1/20 0.43
DRD2 P14416 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HRH1 P35367 1/20 0.43
ROCK1 Q13464 2/20 0.42

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
SCHEMBL2088757 1.00 SMN1; SMN2 (0.54) SMN1; SMN2PRKACAPRKACGPRKACBFLT3
SCHEMBL12442204 1.00 SMN1; SMN2 (0.54) SMN1; SMN2PRKACAPRKACGPRKACBFLT3
SCHEMBL2087197 0.85 DYRK1A (0.49) SMN1; SMN2GSK3BDYRK1AHTR3A
SCHEMBL2087202 0.85 DYRK1A (0.49) SMN1; SMN2GSK3BDYRK1AHTR3A
SCHEMBL2087499 0.83 DYRK1A (0.56) FLT3GSK3BDYRK1AHTR3A
SCHEMBL2087496 0.83 DYRK1A (0.56) FLT3GSK3BDYRK1AHTR3A
SCHEMBL2085158 0.83 GSK3B (0.53) GSK3BDYRK1AHTR3A
SCHEMBL2087073 0.83 GSK3B (0.53) GSK3BDYRK1AHTR3A
SCHEMBL2087068 0.82 HTR3A (0.62) GSK3BDYRK1AHTR3A
SCHEMBL2087070 0.82 HTR3A (0.62) GSK3BDYRK1AHTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1742944-B1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF MEMORY PHARM CORP (US) 2010-11-10 EP claimed
US-7488737-B2 Indoles, 1H-indazoles, 1,2-benzisoxazoles, 1,2-benzoisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICAL CORPORATION (US) 2009-02-10 US claimed
US-20050250808-A1 Indoles, 1h-indazoles, 1,2-benzisoxazoles, 1,2-benzoisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICAL CORPORATION 2005-11-10 US claimed
US-20110178075-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF XIE WENGE 2011-07-21 US disclosed
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
EP-1742944-B1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF MEMORY PHARM CORP (US) 2010-11-10 EP 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
US-7488737-B2 Indoles, 1H-indazoles, 1,2-benzisoxazoles, 1,2-benzoisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICAL CORPORATION (US) 2009-02-10 US disclosed
US-20050250808-A1 Indoles, 1h-indazoles, 1,2-benzisoxazoles, 1,2-benzoisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICAL CORPORATION 2005-11-10 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 (3 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 SMN1; SMN2 2111/4885PRKACA 3229/4885PRKACG 3047/4885
US-20050250808-A1 Indoles, 1h-indazoles, 1,2-benzisoxazoles, 1,2-benzoisothiazoles, and preparation and uses thereof CHRNA7, CHRNA5, CHRNA2 SMN1; SMN2 2111/4885PRKACA 3229/4885PRKACG 3047/4885
US-20090118232-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA2 SMN1; SMN2 2111/4885PRKACA 3229/4885PRKACG 3047/4885

“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.