SCHEMBL423308

SCHEMBL423308

CN(C)Cc1ccc(I)c2c(N)n[nH]c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.41
SLC6A4 P31645 4/20 0.36
SLC6A2 P23975 3/20 0.36
CHEK1 O14757 1/20 0.33
FLT3 P36888 1/20 0.33
PLK3 Q9H4B4 1/20 0.33
ILK Q13418 2/20 0.32
SLC6A3 Q01959 2/20 0.31
CDC7 O00311 2/20 0.31
ROCK2 O75116 2/20 0.31
MAP4K4 O95819 2/20 0.31
PIM1 P11309 2/20 0.31
PRKACA P17612 2/20 0.31
CDK2 P24941 2/20 0.31
GSK3B P49841 2/20 0.31
CLK4 Q9HAZ1 2/20 0.31
IRAK4 Q9NWZ3 2/20 0.31
CDK7 P50613 1/20 0.31
CDK9 P50750 1/20 0.31
HIPK2 Q9H2X6 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
SCHEMBL420733 0.75 PDPK1 (0.39) PDPK1CHEK1FLT3PLK3
SCHEMBL424795 0.74 PDPK1 (0.49) PDPK1CHEK1FLT3PLK3ROCK2
SCHEMBL420203 0.73 KDR (0.49) PDPK1FLT3ILK
SCHEMBL419576 0.70 PDPK1 (0.49) PDPK1CHEK1FLT3PLK3MAP4K4
SCHEMBL425657 0.70 PDPK1 (0.49) PDPK1CHEK1FLT3PLK3MAP4K4
SCHEMBL419757 0.70 KIT (0.49) PDPK1FLT3ILK
SCHEMBL422600 0.70 ALDH1A1 (0.40) PDPK1CHEK1FLT3PLK3
SCHEMBL419470 0.66 KDM4E (0.36) PDPK1
SCHEMBL11315767 0.63 CYP1A2 (0.38) SLC6A4SLC6A2SLC6A3
SCHEMBL5925790 0.61 SLC6A4 (0.33) SLC6A4SLC6A2SLC6A3

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 19 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
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 PDPK1 116/4885SLC6A4 3771/4885SLC6A2 4571/4885
US-20130245015-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABL1, BLK, BTK PDPK1 116/4885SLC6A4 3771/4885SLC6A2 4571/4885
US-20080076767-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABL1, BLK, BTK PDPK1 116/4885SLC6A4 3771/4885SLC6A2 4571/4885
US-20050020603-A1 Indazole, benzisoxazole, and benzisothiazole kinase inhibitors ABL1, BLK, BTK PDPK1 116/4885SLC6A4 3771/4885SLC6A2 4571/4885
US-20040235892-A1 Indazole and benzisoxazole kinase inhibitors ABL1, MAP3K19, MAP3K1 PDPK1 67/4885SLC6A4 4018/4885SLC6A2 4598/4885
US-20090286784-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABL1, BLK, BTK PDPK1 116/4885SLC6A4 3771/4885SLC6A2 4571/4885
US-20130030189-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABL1, BLK, BTK PDPK1 116/4885SLC6A4 3771/4885SLC6A2 4571/4885

“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.