SCHEMBL423279

SCHEMBL423279

Nc1ccc(-c2ccc(CN3CCOCC3)c3onc(N)c23)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 4/20 0.57
KDR P35968 4/20 0.57
FLT3 P36888 4/20 0.57
IKBKE Q14164 1/20 0.56
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP2C9 P11712 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALOX5AP P20292 2/20 0.40
FEN1 P39748 2/20 0.40
PIK3R1 P27986 1/20 0.39
PIK3CA P42336 1/20 0.39
MTOR P42345 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
ADORA2A P29274 2/20 0.38
ADORA1 P30542 2/20 0.38
CD274 Q9NZQ7 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
SCHEMBL423319 0.81 KDR (0.78) KITKDRFLT3IKBKE
SCHEMBL420385 0.80 KIT (0.45) KITKDRFLT3IKBKENPC1
SCHEMBL422815 0.79 KIT (0.60) KITKDRFLT3IKBKENPC1
SCHEMBL425539 0.79 KIT (0.61) KITKDRFLT3IKBKEALDH1A1
SCHEMBL420989 0.77 KDR (0.78) KITKDRFLT3IKBKE
SCHEMBL421023 0.77 KDR (0.68) KITKDRFLT3IKBKEALDH1A1
SCHEMBL27657320 0.76 KDR (0.51) KITKDRFLT3IKBKEALDH1A1
SCHEMBL27636455 0.76 KIT (0.53) KITKDRFLT3IKBKENPC1
SCHEMBL6798531 0.76 KDR (0.59) KITKDRFLT3IKBKENPC1
SCHEMBL27657354 0.76 KDR (0.51) KITKDRFLT3IKBKEALDH1A1

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 16 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
US-20120022253-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2012-01-26 US 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
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
US-20040235892-A1 Indazole and benzisoxazole kinase inhibitors ABBOTT LABORATORIES 2004-11-25 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 (7 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 KIT 361/4885KDR 724/4885FLT3 41/4885
US-20130245015-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABL1, BLK, BTK KIT 361/4885KDR 724/4885FLT3 41/4885
US-20080076767-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABL1, BLK, BTK KIT 361/4885KDR 724/4885FLT3 41/4885
US-20050020603-A1 Indazole, benzisoxazole, and benzisothiazole kinase inhibitors ABL1, BLK, BTK KIT 361/4885KDR 724/4885FLT3 41/4885
US-20040235892-A1 Indazole and benzisoxazole kinase inhibitors ABL1, MAP3K19, MAP3K1 KIT 238/4885KDR 800/4885FLT3 41/4885
US-20090286784-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABL1, BLK, BTK KIT 361/4885KDR 724/4885FLT3 41/4885
US-20130030189-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABL1, BLK, BTK KIT 361/4885KDR 724/4885FLT3 41/4885

“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.