SCHEMBL425392

SCHEMBL425392

Nc1nn(-c2ccccc2)c2cccc(I)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.40
EGFR P00533 1/20 0.40
SMN1; SMN2 Q16637 6/20 0.40
NPC1 O15118 6/20 0.40
RAB9A P51151 6/20 0.40
MAPT P10636 5/20 0.40
NFKB1 P19838 5/20 0.40
NFKB2 Q00653 5/20 0.40
RELA Q04206 5/20 0.40
LMNA P02545 3/20 0.40
PLA2G1B P04054 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
ADORA2A P29274 3/20 0.39
KDM4E B2RXH2 1/20 0.39
ADORA3 P0DMS8 2/20 0.38
ADORA1 P30542 1/20 0.38
MAPK1 P28482 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
PDPK1 O15530 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
SCHEMBL27682904 0.80 EGFR (0.40) SRCEGFRSMN1; SMN2NPC1RAB9A
SCHEMBL423714 0.74 PDPK1 (0.41) NPC1MAPTLMNAKDM4EPDPK1
SCHEMBL10831975 0.73 MAPT (0.47) SRCEGFRSMN1; SMN2NPC1RAB9A
SCHEMBL7001959 0.69 SRC (0.56) SRCEGFRSMN1; SMN2NPC1RAB9A
SCHEMBL28871294 0.69 KDR (0.45) MAPTMAPK1CYP1A2PDPK1ALDH1A1
SCHEMBL29968393 0.69 KDR (0.45) MAPTMAPK1CYP1A2PDPK1ALDH1A1
SCHEMBL3716785 0.68 EGFR (0.72) SRCEGFRADORA2AKDM4EMAPK1
SCHEMBL423590 0.68 PDGFRA (0.46) MAPK1CYP1A2CYP2C19PDPK1POLB
SCHEMBL29439744 0.68 MPO (0.49) MAPTADORA2AADORA3ADORA1ALDH1A1
SCHEMBL421313 0.66 TOP2A (0.37) SRCPDPK1

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 20 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
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-20120022253-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABL1, BLK, BTK SRC 30/4885EGFR 270/4885SMN1; SMN2 4807/4885
US-20130245015-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABL1, BLK, BTK SRC 30/4885EGFR 270/4885SMN1; SMN2 4807/4885
US-20080076767-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABL1, BLK, BTK SRC 30/4885EGFR 270/4885SMN1; SMN2 4807/4885
US-20050020603-A1 Indazole, benzisoxazole, and benzisothiazole kinase inhibitors ABL1, BLK, BTK SRC 30/4885EGFR 270/4885SMN1; SMN2 4807/4885
US-20090286784-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABL1, BLK, BTK SRC 30/4885EGFR 270/4885SMN1; SMN2 4807/4885
US-20130030189-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABL1, BLK, BTK SRC 30/4885EGFR 270/4885SMN1; SMN2 4807/4885

“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.