SCHEMBL419576

SCHEMBL419576

Nc1n[nH]c2c(F)ccc(I)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 2/20 0.49
FLT3 P36888 3/20 0.38
CHEK1 O14757 1/20 0.38
PLK3 Q9H4B4 1/20 0.38
KDR P35968 5/20 0.38
KIT P10721 2/20 0.38
MAPK14 Q16539 2/20 0.35
MAP4K4 O95819 2/20 0.35
CSF1R P07333 2/20 0.35
FGFR1 P11362 2/20 0.35
LTK P29376 2/20 0.35
MAPK8 P45983 2/20 0.35
CSNK1A1 P48729 2/20 0.35
CDK5 Q00535 2/20 0.35
ACVR1 Q04771 2/20 0.35
TNK2 Q07912 2/20 0.35
CLK4 Q9HAZ1 2/20 0.35
DYRK1B Q9Y463 2/20 0.35
MAP2K1 Q02750 2/20 0.35
DAPK3 O43293 1/20 0.35

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
SCHEMBL16681450 0.78 KDR (0.38) PDPK1FLT3CHEK1PLK3KDR
SCHEMBL424795 0.78 PDPK1 (0.49) PDPK1FLT3CHEK1PLK3KDR
SCHEMBL425657 0.78 PDPK1 (0.49) PDPK1FLT3CHEK1PLK3KDR
SCHEMBL187024 0.74 KDM4E (0.41) FLT3KDRKITABL1GAA
SCHEMBL422238 0.73 KDR (0.58) FLT3PLK3KDRKITMAPK14
SCHEMBL31358067 0.72
SCHEMBL424406 0.70 PDPK1 (0.53) PDPK1FLT3KDRKITMAPK14
SCHEMBL423308 0.70 PDPK1 (0.41) PDPK1FLT3CHEK1PLK3MAP4K4
SCHEMBL422600 0.68 ALDH1A1 (0.40) PDPK1FLT3CHEK1PLK3KDM4E
SCHEMBL420733 0.67 PDPK1 (0.39) PDPK1FLT3CHEK1PLK3KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3112351-B1 NAPHTHYLAMIDE COMPOUND, PREPARATION METHOD AND USE THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2022-03-30 EP disclosed
US-9914707-B2 Naphthylamide compound, preparation method and use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2018-03-13 US disclosed
US-20170066723-A1 NAPHTHYLAMIDE COMPOUND, PREPARATION METHOD AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2017-03-09 US disclosed
EP-3112351-A1 NAPHTHYLAMIDE COMPOUND, PREPARATION METHOD AND USE THEREOF Shanghai Institute Of Materia Medica Chinese Academy of Sciences (CN) 2017-01-04 EP disclosed
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
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-20130245015-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABL1, BLK, BTK PDPK1 116/4885FLT3 41/4885CHEK1 244/4885
US-20080076767-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABL1, BLK, BTK PDPK1 116/4885FLT3 41/4885CHEK1 244/4885
US-20050020603-A1 Indazole, benzisoxazole, and benzisothiazole kinase inhibitors ABL1, BLK, BTK PDPK1 116/4885FLT3 41/4885CHEK1 244/4885
US-20090286784-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABL1, BLK, BTK PDPK1 116/4885FLT3 41/4885CHEK1 244/4885
US-20130030189-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABL1, BLK, BTK PDPK1 116/4885FLT3 41/4885CHEK1 244/4885
US-20170066723-A1 NAPHTHYLAMIDE COMPOUND, PREPARATION METHOD AND USE THEREOF KDR, FLT1, FLT4 PDPK1 737/4885FLT3 20/4885CHEK1 3143/4885

“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.