SCHEMBL420358

SCHEMBL420358

Nc1n[nH]c2c(OCCNS(=O)(=O)C(F)(F)F)ccc(I)c12

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.40
KDR P35968 10/20 0.33
FLT3 P36888 7/20 0.33
KIT P10721 5/20 0.33
PDGFRB P09619 5/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
PDPK1 O15530 1/20 0.32
CSF1R P07333 2/20 0.31
PDGFRA P16234 2/20 0.31
CDK8 P49336 2/20 0.31
NTRK3 Q16288 2/20 0.31
AURKB Q96GD4 2/20 0.31
RET P07949 1/20 0.31
FLT1 P17948 1/20 0.31
LTK P29376 1/20 0.31
NTRK2 Q16620 1/20 0.31
ALK Q9UM73 1/20 0.31

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
SCHEMBL423508 0.85 KDR (0.36) KDRFLT3KITPDGFRBPDPK1
SCHEMBL421542 0.82 GLRA3 (0.46) KDRKIT
SCHEMBL423869 0.79 ALDH1A1 (0.47)
SCHEMBL6012202 0.74 PDPK1 (0.32) KDRFLT3KITPDGFRBPDPK1
SCHEMBL422586 0.73 KDR (0.61) KDRFLT3KITPDGFRBCSF1R
SCHEMBL421710 0.72 KDR (0.74) KDRFLT3KITPDGFRBCSF1R
SCHEMBL6012201 0.72 PDPK1 (0.32) KDRFLT3KITPDPK1
SCHEMBL25802453 0.71 IDO1 (0.42) IDO1CA1CA2
SCHEMBL421382 0.70 KDR (0.70) KDRFLT3KITPDGFRBCSF1R
SCHEMBL420614 0.69 CDC7 (0.42) IDO1KDRFLT3KITPDGFRB

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 14 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-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
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 IDO1 524/4885KDR 724/4885FLT3 41/4885
US-20130245015-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABL1, BLK, BTK IDO1 524/4885KDR 724/4885FLT3 41/4885
US-20080076767-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABL1, BLK, BTK IDO1 524/4885KDR 724/4885FLT3 41/4885
US-20050020603-A1 Indazole, benzisoxazole, and benzisothiazole kinase inhibitors ABL1, BLK, BTK IDO1 524/4885KDR 724/4885FLT3 41/4885
US-20090286784-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABL1, BLK, BTK IDO1 524/4885KDR 724/4885FLT3 41/4885
US-20130030189-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABL1, BLK, BTK IDO1 524/4885KDR 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.