SCHEMBL424953

SCHEMBL424953

N#Cc1c(I)cccc1SCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
MAOB P27338 3/20 0.46
MAOA P21397 2/20 0.46
ALDH1A1 P00352 5/20 0.43
L3MBTL1 Q9Y468 4/20 0.43
TDP1 Q9NUW8 2/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
HPGD P15428 4/20 0.42
HTT P42858 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
PPARG P37231 1/20 0.42
NCOA2 Q15596 1/20 0.42
NCOA1 Q15788 1/20 0.42
HSD11B1 P28845 1/20 0.40
ACMSD Q8TDX5 1/20 0.40
DYRK1A Q13627 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
SCHEMBL16936699 0.82 POLB (0.49) POLBMAOBMAOAALDH1A1L3MBTL1
SCHEMBL4014797 0.74 MAOA (0.59) POLBMAOBMAOAALDH1A1L3MBTL1
SCHEMBL16936272 0.74 MAOB (0.43) POLBMAOBMAOAALDH1A1L3MBTL1
SCHEMBL15680086 0.72 ALDH1A1 (0.37) ALDH1A1L3MBTL1TDP1KMT2AMEN1
SCHEMBL16825592 0.72 MAOA (0.41) POLBMAOBMAOAALDH1A1L3MBTL1
SCHEMBL8466190 0.70 DYRK1A (0.46) ALDH1A1L3MBTL1KMT2AMEN1CYP1A2
SCHEMBL9764669 0.69 POLB (0.53) POLBMAOBMAOAALDH1A1L3MBTL1
SCHEMBL1155140 0.68 MAOA (0.48) POLBMAOBMAOAALDH1A1L3MBTL1
SCHEMBL17010338 0.68 HSD17B10 (0.51) POLBMAOBMAOAALDH1A1L3MBTL1
SCHEMBL30023811 0.68 HSD17B10 (0.51) POLBMAOBMAOAALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940778-B2 Indazole, benzisoxazole, and benzisothiazole kinase inhibitors ABBVIE INC. (US) 2015-01-27 US disclosed
US-8642776-B2 Indazole, benzisoxazole, and benzisothiazole kinase inhibitors ABBVIE INC. (US) 2014-02-04 US disclosed
US-20130245015-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABBVIE INC (US) 2013-09-19 US disclosed
US-20130030189-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABBVIE INC. (US) 2013-01-31 US disclosed
US-8299243-B2 Indazole, benzisoxazole, and benzisothiazole kinase inhibitors ABBVIE INC. (US) 2012-10-30 US disclosed
EP-2246333-B1 Indazole, benzisoxazole, and benzisothiazole kinase inhibitors ABBOTT LAB (US) 2012-10-24 EP disclosed
CN-102417487-A Indazole, benzisoxazole and benzisothiazole kinase inhibitors ABBOTT LAB 2012-04-18 CN disclosed
US-20120022253-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2012-01-26 US disclosed
CN-1826324-B indazole, Benzisoxazole and benzisothiazole kinase inhibitors ABBOTT LABORATORIES (US) 2011-12-07 CN disclosed
US-8063091-B2 Indazole, benzisoxazole, and benzisothiazole kinase inhibitors ABBOTT LABORATORIES (US) 2011-11-22 US disclosed
EP-2246333-A1 Indazole, benzisoxazole, and benzisothiazole kinase inhibitors Abbott Laboratories (US) 2010-11-03 EP disclosed
EP-1638941-B1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABBOTT LAB (US) 2010-06-02 EP disclosed
US-20090286784-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2009-11-19 US disclosed
US-7598283-B2 Indazole, benzisoxazole, and benzisothiazole kinase inhibitors ABBOTT LABORATORIES, INC. (US) 2009-10-06 US disclosed
US-20080076767-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABBVIE INC. 2008-03-27 US disclosed
US-7297709-B2 Indazole, benzisoxazole, and benzisothiazole kinase inhibitors ABBOTT LABORATORIES (US) 2007-11-20 US disclosed
CN-1826324-A Indazole, benzisoxazole and benzisothiazole kinase inhibitors ABBOTT LAB (US) 2006-08-30 CN disclosed
US-20050020603-A1 Indazole, benzisoxazole, and benzisothiazole kinase inhibitors ABBVIE INC. 2005-01-27 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 (6 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-20120022253-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABL1, BLK, BTK POLB 4436/4885MAOB 1433/4885MAOA 1636/4885
US-20130245015-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABL1, BLK, BTK POLB 4436/4885MAOB 1433/4885MAOA 1636/4885
US-20080076767-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABL1, BLK, BTK POLB 4436/4885MAOB 1433/4885MAOA 1636/4885
US-20050020603-A1 Indazole, benzisoxazole, and benzisothiazole kinase inhibitors ABL1, BLK, BTK POLB 4436/4885MAOB 1433/4885MAOA 1636/4885
US-20090286784-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABL1, BLK, BTK POLB 4436/4885MAOB 1433/4885MAOA 1636/4885
US-20130030189-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABL1, BLK, BTK POLB 4436/4885MAOB 1433/4885MAOA 1636/4885

“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.