SCHEMBL1966636

SCHEMBL1966636

O=C(O)c1n[nH]c2ccc(CN3CCCC3)cc12

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 18/20 0.55
WNT1 P04628 10/20 0.55
CLK2 P49760 3/20 0.55
CLK3 P49761 3/20 0.55
CDK5 Q00535 1/20 0.55
CDK5R1 Q15078 1/20 0.55
GSK3B P49841 3/20 0.52
HAO1 Q9UJM8 1/20 0.50

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
SCHEMBL28079206 0.88 DYRK1A (0.69) DYRK1AWNT1CLK2CLK3CDK5
SCHEMBL2056320 0.77 HAO1 (0.57) GSK3BHAO1
SCHEMBL2788242 0.77 CHRNA7 (0.66) DYRK1AWNT1CLK2CLK3CDK5
SCHEMBL28079205 0.74 MCHR1 (0.48) DYRK1AWNT1CLK2CLK3CDK5
SCHEMBL14804113 0.74 CDK5 (0.74) DYRK1AWNT1CLK2CLK3CDK5
SCHEMBL18850270 0.74 HAO1 (0.51) HAO1
SCHEMBL27955206 0.74 HAO1 (0.53) HAO1
SCHEMBL1964284 0.74 HAO1 (0.53) DYRK1AWNT1GSK3BHAO1
Formic Acid SCHEMBL1963495 0.74 CHRNA7 (0.62) DYRK1AWNT1CLK2CLK3CDK5
SCHEMBL27970054 0.73 DYRK1A (0.85) DYRK1AWNT1CLK2CLK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103724343-A Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, and preparation and uses thereof MEMORY PHARM CORP 2014-04-16 CN disclosed
US-20130217683-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USE THEREOF MEMORY PHARMACEUTICALS CORPORATION (US) 2013-08-22 US disclosed
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-20110319407-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USE THEREOF XIE WENGE (US) 2011-12-29 US disclosed
EP-2336128-A1 Benzoisothiazoles and preparation and uses thereof Memory Pharmaceuticals Corporation (US) 2011-06-22 EP disclosed
US-20100105677-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USES THEREOF XIE WENGE 2010-04-29 US disclosed
EP-1735306-A2 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USES THEREOF Memory Pharmaceuticals Corporation (US) 2006-12-27 EP disclosed
US-20050234095-A1 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION 2005-10-20 US disclosed
WO-2005092890-A2 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USES THEREOF MEMORY PHARMACEUTICALS CORPORATION (US) 2005-10-06 WO 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 (4 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-20110319407-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USE THEREOF CHRNA7, CHRNA5, CHRNA3 DYRK1A 2487/4885WNT1 2621/4885CLK2 2142/4885
US-20100105677-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA3 DYRK1A 2462/4885WNT1 2637/4885CLK2 2120/4885
US-20130217683-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USE THEREOF CHRNA7, CHRNA5, CHRNA3 DYRK1A 2487/4885WNT1 2621/4885CLK2 2142/4885
US-20050234095-A1 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, and preparation and uses thereof CHRNA7, CHRNA5, CHRNA3 DYRK1A 2462/4885WNT1 2637/4885CLK2 2120/4885

“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.