SCHEMBL423146

SCHEMBL423146

N#Cc1c(I)ccc(OCCCc2cccnc2)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP2A6 P11509 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
CYP19A1 P11511 1/20 0.39
HRH1 P35367 2/20 0.38
HRH4 Q9H3N8 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
PTAFR P25105 2/20 0.38
CHRNA7 P36544 2/20 0.37
ABL1 P00519 2/20 0.37
EGFR P00533 2/20 0.37
FLT1 P17948 2/20 0.37

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
SCHEMBL423779 0.85 CYP11B1 (0.36) CYP3A4CYP2D6CYP2C9CYP11B1CYP11B2
SCHEMBL421903 0.72 MAPT (0.34) ALDH1A1L3MBTL1LMNATSHRHTT
SCHEMBL423730 0.72 SQOR (0.38) HPGDKDM4EALDH1A1EGFRLMNA
SCHEMBL1142182 0.71 CYP11B1 (0.50) HPGDKDM4EALDH1A1CYP2A6CYP11B1
SCHEMBL7301110 0.71 CYP3A4 (0.59) CYP2A6CYP3A4CYP2D6CYP2C9TDP1
SCHEMBL419858 0.69 ALDH1A1 (0.43) KDM4EALDH1A1TDP1
SCHEMBL420454 0.68 HRH4 (0.41) CYP2A6CYP3A4CYP2D6CYP2C9TDP1
SCHEMBL29960305 0.67 CYP11B1 (0.56) CYP2A6CYP2D6TDP1L3MBTL1CYP11B1
SCHEMBL422284 0.67 EPAS1 (0.36) CYP2C9LMNA
SCHEMBL6136973 0.66 CYP2A6 (0.50) CYP2A6CYP3A4CYP2D6CYP2C9TDP1

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 20 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
EP-1638941-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2006-03-29 EP disclosed
US-20050020603-A1 Indazole, benzisoxazole, and benzisothiazole kinase inhibitors ABBVIE INC. 2005-01-27 US disclosed
WO-2004113304-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2004-12-29 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 (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 HPGD 2665/4885KDM4E 898/4885ALDH1A1 2345/4885
US-20130245015-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABL1, BLK, BTK HPGD 2665/4885KDM4E 898/4885ALDH1A1 2345/4885
US-20080076767-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABL1, BLK, BTK HPGD 2665/4885KDM4E 898/4885ALDH1A1 2345/4885
US-20050020603-A1 Indazole, benzisoxazole, and benzisothiazole kinase inhibitors ABL1, BLK, BTK HPGD 2665/4885KDM4E 898/4885ALDH1A1 2345/4885
US-20090286784-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABL1, BLK, BTK HPGD 2665/4885KDM4E 898/4885ALDH1A1 2345/4885
US-20130030189-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABL1, BLK, BTK HPGD 2665/4885KDM4E 898/4885ALDH1A1 2345/4885

“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.