Sugi Predict

Sugi Predict / Compounds / SCHEMBL421652

SCHEMBL421652

SCHEMBL421652

Nc1n[nH]c2cc(Br)cc(Br)c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 7/20 0.53
▸ JAK2 O60674 4/20 0.53
▸ DYRK1A Q13627 2/20 0.50
▸ PRKACA P17612 3/20 0.44
▸ CDK2 P24941 3/20 0.44
▸ KDR P35968 2/20 0.44
▸ PLK4 O00444 1/20 0.44
▸ AURKA O14965 1/20 0.44
▸ LCK P06239 1/20 0.44
▸ CDK1 P06493 1/20 0.44
▸ CSF1R P07333 1/20 0.44
▸ LYN P07948 1/20 0.44
▸ FGFR1 P11362 1/20 0.44
▸ SRC P12931 1/20 0.44
▸ RPS6KB1 P23443 1/20 0.44
▸ MARK3 P27448 1/20 0.44
▸ AKT1 P31749 1/20 0.44
▸ AKT2 P31751 1/20 0.44
▸ BLK P51451 1/20 0.44
▸ CSNK2A1 P68400 1/20 0.44

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
SCHEMBL16681050 0.81 PDPK1 (0.42) PDPK1JAK2DYRK1APRKACACDK2
SCHEMBL1317469 0.81 PDPK1 (0.50) PDPK1JAK2DYRK1APRKACACDK2
SCHEMBL16681518 0.81 PDPK1 (0.42) PDPK1JAK2DYRK1APRKACACDK2
SCHEMBL12118195 0.81 PDPK1 (0.50) PDPK1JAK2DYRK1APRKACACDK2
SCHEMBL17875703 0.76 PDPK1 (0.36) PDPK1JAK2DYRK1AIDO1TDO2
SCHEMBL30566149 0.72 PDPK1 (0.61) PDPK1JAK2DYRK1APRKACACDK2
SCHEMBL5550935 0.72 BTK (0.43) PDPK1JAK2DYRK1APRKACACDK2
SCHEMBL760018 0.72 PDPK1 (0.61) PDPK1JAK2DYRK1APRKACACDK2
SCHEMBL16935624 0.71 BTK (0.44) PDPK1JAK2DYRK1APRKACACDK2
SCHEMBL424831 0.69 PDPK1 (1.00) PDPK1JAK2DYRK1ACDK2KDR

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 18 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-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
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
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 116/4885JAK2 9/4885DYRK1A 427/4885
US-20130245015-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABL1, BLK, BTK PDPK1 116/4885JAK2 9/4885DYRK1A 427/4885
US-20080076767-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABL1, BLK, BTK PDPK1 116/4885JAK2 9/4885DYRK1A 427/4885
US-20050020603-A1 Indazole, benzisoxazole, and benzisothiazole kinase inhibitors ABL1, BLK, BTK PDPK1 116/4885JAK2 9/4885DYRK1A 427/4885
US-20040235892-A1 Indazole and benzisoxazole kinase inhibitors ABL1, MAP3K19, MAP3K1 PDPK1 67/4885JAK2 29/4885DYRK1A 505/4885
US-20090286784-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABL1, BLK, BTK PDPK1 116/4885JAK2 9/4885DYRK1A 427/4885
US-20130030189-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABL1, BLK, BTK PDPK1 116/4885JAK2 9/4885DYRK1A 427/4885

“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.