SCHEMBL12315134

SCHEMBL12315134

CC(C)(C)NC(=O)Nc1ccc2[nH]nc(C(=O)N[C@H]3CN4CCC3CC4)c2c1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 9/20 0.64
HTR3A P46098 3/20 0.64
JAK2 O60674 1/20 0.48
ABL1 P00519 1/20 0.44
BCR P11274 1/20 0.44
FGFR1 P11362 1/20 0.44
FLT1 P17948 1/20 0.44
DYRK1A Q13627 6/20 0.43
WNT1 P04628 4/20 0.43
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 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
SCHEMBL15199683 0.91 CHRNA7 (0.62) CHRNA7HTR3ADYRK1AWNT1HTR3E
SCHEMBL2791345 0.86 CHRNA7 (0.71) CHRNA7HTR3ADYRK1AWNT1HTR3E
SCHEMBL2790338 0.86 CHRNA7 (0.71) CHRNA7HTR3ADYRK1AWNT1HTR3E
SCHEMBL12059780 0.86 CHRNA7 (0.63) CHRNA7HTR3ADYRK1AWNT1HTR3E
SCHEMBL1967265 0.86 CHRNA7 (0.65) CHRNA7HTR3ADYRK1AWNT1
SCHEMBL1965176 0.86 CHRNA7 (0.67) CHRNA7HTR3ADYRK1AWNT1HTR3E
SCHEMBL1965165 0.85 CHRNA7 (0.62) CHRNA7HTR3ADYRK1AWNT1HTR3E
SCHEMBL1965388 0.85 CHRNA7 (0.62) CHRNA7HTR3ADYRK1AWNT1HTR3E
SCHEMBL1966902 0.85 CHRNA7 (0.69) CHRNA7HTR3ADYRK1AWNT1
SCHEMBL1963831 0.84 CHRNA7 (0.60) CHRNA7HTR3ADYRK1AWNT1HTR3E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8486937-B2 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, and preparation and use thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2013-07-16 US disclosed
US-8263619-B2 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2012-09-11 US disclosed
US-20100105677-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USES THEREOF XIE WENGE 2010-04-29 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-20100105677-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA3 CHRNA7 1/4885HTR3A 367/4885JAK2 2866/4885

“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.