SCHEMBL423525

SCHEMBL423525

Nc1n[nH]c2c(OCCCc3cccnc3)ccc(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 20/20 0.71
FLT3 P36888 15/20 0.71
CSF1R P07333 4/20 0.71
NTRK3 Q16288 3/20 0.71
AURKB Q96GD4 3/20 0.71
PDGFRB P09619 2/20 0.71
PDGFRA P16234 2/20 0.71
CDK8 P49336 2/20 0.71
KIT P10721 14/20 0.60
FLT1 P17948 3/20 0.52
RET P07949 2/20 0.52
NTRK2 Q16620 2/20 0.52
ALK Q9UM73 2/20 0.52
LTK P29376 1/20 0.52
VHL P40337 1/20 0.49
TEK Q02763 1/20 0.48
PLK4 O00444 1/20 0.48
IKBKB O14920 1/20 0.48
AURKA O14965 1/20 0.48
DCLK1 O15075 1/20 0.48

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
SCHEMBL421169 0.92 KDR (0.74) KDRFLT3CSF1RNTRK3AURKB
SCHEMBL420774 0.91 KDR (0.59) KDRFLT3CSF1RNTRK3AURKB
SCHEMBL425062 0.91 KDR (0.74) KDRFLT3CSF1RNTRK3AURKB
SCHEMBL422255 0.89 KDR (0.59) KDRFLT3CSF1RNTRK3AURKB
SCHEMBL421881 0.88 KDR (0.59) KDRFLT3CSF1RNTRK3AURKB
SCHEMBL420891 0.87 KDR (0.54) KDRFLT3CSF1RNTRK3AURKB
SCHEMBL424817 0.85 KDR (0.73) KDRFLT3CSF1RNTRK3AURKB
SCHEMBL423206 0.84 KDR (0.83) KDRFLT3CSF1RNTRK3AURKB
SCHEMBL424248 0.84 KDR (0.77) KDRFLT3CSF1RNTRK3AURKB
SCHEMBL422656 0.83 KDR (0.69) KDRFLT3CSF1RNTRK3AURKB

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130245015-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABBVIE INC (US) 2013-09-19 US claimed
US-8299243-B2 Indazole, benzisoxazole, and benzisothiazole kinase inhibitors ABBVIE INC. (US) 2012-10-30 US claimed
US-20120022253-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2012-01-26 US claimed
JP-4810427-B2 2011-11-09 JP claimed
EP-1638941-B1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABBOTT LAB (US) 2010-06-02 EP claimed
US-20090286784-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2009-11-19 US claimed
US-20080076767-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABBVIE INC. 2008-03-27 US claimed
EP-1638941-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2006-03-29 EP claimed
US-20050020603-A1 Indazole, benzisoxazole, and benzisothiazole kinase inhibitors ABBVIE INC. 2005-01-27 US claimed
WO-2004113304-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2004-12-29 WO claimed
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
US-7598283-B2 Indazole, benzisoxazole, and benzisothiazole kinase inhibitors ABBOTT LABORATORIES, INC. (US) 2009-10-06 US disclosed
WO-2009050291-A2 SOLID DISPERSION PRODUCT OF N-ARYL UREA-BASED DRUGS ABBOTT GMBH & CO. KG (DE) 2009-04-23 WO 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
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 KDR 724/4885FLT3 41/4885CSF1R 1113/4885
US-20130245015-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABL1, BLK, BTK KDR 724/4885FLT3 41/4885CSF1R 1113/4885
US-20080076767-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABL1, BLK, BTK KDR 724/4885FLT3 41/4885CSF1R 1113/4885
US-20050020603-A1 Indazole, benzisoxazole, and benzisothiazole kinase inhibitors ABL1, BLK, BTK KDR 724/4885FLT3 41/4885CSF1R 1113/4885
US-20090286784-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABL1, BLK, BTK KDR 724/4885FLT3 41/4885CSF1R 1113/4885
US-20130030189-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABL1, BLK, BTK KDR 724/4885FLT3 41/4885CSF1R 1113/4885

“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.