SCHEMBL1967068

SCHEMBL1967068

COc1ccc2[nH]nc(C(=O)O)c2c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAA1 Q13131 4/20 0.46
PRKAG1 P54619 3/20 0.46
PRKAB1 Q9Y478 3/20 0.46
PRKAB2 O43741 2/20 0.43
PRKAA2 P54646 2/20 0.43
PRKAG3 Q9UGI9 2/20 0.43
PRKAG2 Q9UGJ0 2/20 0.43
HCAR2 Q8TDS4 2/20 0.42
RAB9A P51151 3/20 0.41
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK10 P53779 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NTRK1 P04629 3/20 0.41
CTNNB1 P35222 1/20 0.40
WNT3A P56704 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
DYRK1A Q13627 2/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL1966460 0.82 PRKAA1 (0.46) PRKAA1PRKAG1PRKAB1PRKAB2PRKAA2
SCHEMBL492585 0.79 CTNNB1 (0.48) PRKAA1PRKAG1PRKAB1PRKAB2PRKAA2
SCHEMBL1176205 0.77 PRKAG1 (0.43) PRKAA1PRKAG1PRKAB1PRKAB2PRKAA2
SCHEMBL31411486 0.75 HTR1A (0.40) RAB9ALMNASMN1; SMN2MAPK10HSD17B10
SCHEMBL16675985 0.75 HTR1A (0.43) HSD17B10NTRK1DYRK1AHTR1AMAP4K4
SCHEMBL1963548 0.75 PRKAA1 (0.43) PRKAA1PRKAG1PRKAB1PRKAB2PRKAA2
SCHEMBL1963668 0.74 KMT2A (0.40) PRKAA1PRKAG1PRKAB1HCAR2LMNA
SCHEMBL1964961 0.72 HTR3A (0.59) MAPK1DYRK1A
SCHEMBL16517115 0.72 PRKAA1 (0.40) PRKAA1PRKAG1PRKAB1PRKAB2PRKAA2
SCHEMBL16240884 0.70 CTNNB1 (0.44) PRKAA1PRKAG1PRKAB1PRKAB2PRKAA2

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
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 PRKAA1 1894/4885PRKAG1 1882/4885PRKAB1 2165/4885
US-20100105677-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA3 PRKAA1 1849/4885PRKAG1 1796/4885PRKAB1 2098/4885
US-20130217683-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USE THEREOF CHRNA7, CHRNA5, CHRNA3 PRKAA1 1894/4885PRKAG1 1882/4885PRKAB1 2165/4885
US-20050234095-A1 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, and preparation and uses thereof CHRNA7, CHRNA5, CHRNA3 PRKAA1 1849/4885PRKAG1 1796/4885PRKAB1 2098/4885

“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.