SCHEMBL5495505

SCHEMBL5495505

Brc1ccc2nc(Nc3ccccc3)ncc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.58
IGF1R P08069 3/20 0.54
MAPT P10636 4/20 0.51
BRAF P15056 3/20 0.47
KDR P35968 2/20 0.47
CDK1 P06493 4/20 0.46
CDK2 P24941 4/20 0.46
GSK3B P49841 2/20 0.46
PLK4 O00444 1/20 0.46
AURKA O14965 1/20 0.46
PDPK1 O15530 1/20 0.46
JAK2 O60674 1/20 0.46
PRKD3 O94806 1/20 0.46
MAP4K4 O95819 1/20 0.46
NTRK1 P04629 1/20 0.46
INSR P06213 1/20 0.46
LCK P06239 1/20 0.46
FYN P06241 1/20 0.46
FES P07332 1/20 0.46
CSF1R P07333 1/20 0.46

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
SCHEMBL24151364 0.88 ADRB2 (0.55) ADRB2IGF1RMAPTKDRCDK1
SCHEMBL14568609 0.87 BRAF (0.46) ADRB2MAPTBRAFKDRCDK2
SCHEMBL13362999 0.86 BRAF (0.52) ADRB2BRAF
SCHEMBL13362987 0.84 MAP3K5 (0.62) ADRB2IGF1RBRAFKDRSRC
SCHEMBL2741577 0.81 BRAF (0.60) BRAFKDRMAP3K5DGAT1
SCHEMBL14724701 0.81 CDK1 (0.52) IGF1RMAPTBRAFKDRCDK1
SCHEMBL27610222 0.81 ROCK1 (0.53) ADRB2IGF1RMAPTBRAFKDR
SCHEMBL5496713 0.81 CCND3 (0.46) BRAFKDRCDK2GSK3ACDK5
SCHEMBL167891 0.80 MAP3K5 (0.60) IGF1RMAPTKDRCDK1CDK2
SCHEMBL31381352 0.80 MAP3K5 (0.60) IGF1RMAPTKDRCDK1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240008488-A1 HETEROCYCLIC COMPOUND AND HARMFUL ARTHROPOD-CONTROLLING COMPOSITION INCLUDING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2024-01-11 US disclosed
EP-4223755-A1 HETEROCYCLIC COMPOUND AND HARMFUL ARTHROPOD-CONTROLLING COMPOSITION INCLUDING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-08-09 EP disclosed
CN-116456817-A Heterocyclic compound and harmful arthropod control composition containing same 住友化学株式会社 2023-07-18 CN disclosed
WO-2022071428-A1 HETEROCYCLIC COMPOUND AND HARMFUL ARTHROPOD-CONTROLLING COMPOSITION INCLUDING SAME 住友化学株式会社 2022-04-07 WO disclosed
US-20210353626-A1 BETA-ADRENERGIC RECEPTOR ALLOSTERIC MODULATORS Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2021-11-18 US disclosed
US-20210353626-A1 BETA-ADRENERGIC RECEPTOR ALLOSTERIC MODULATORS Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) 2021-11-18 US disclosed
WO-2019204768-A1 BETA-ADRENERGIC RECEPTOR ALLOSTERIC MODULATORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-10-24 WO disclosed
WO-2019204768-A1 BETA-ADRENERGIC RECEPTOR ALLOSTERIC MODULATORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-10-24 WO disclosed
EP-1836174-B2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2019-10-02 EP disclosed
EP-2321299-B1 PYRIDONS AS PDK1 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2016-02-24 EP disclosed
US-20110269958-A1 PYRIDONS AS PDK1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-03 US disclosed
US-20110269958-A1 PYRIDONS AS PDK1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-03 US disclosed
WO-2010107768-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2010-09-23 WO disclosed
WO-2010007114-A2 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-21 WO disclosed
WO-2010007116-A2 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-21 WO disclosed
EP-1836174-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC. (US) 2007-09-26 EP disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
WO-2006039718-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2006-04-13 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 (4 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-20210353626-A1 BETA-ADRENERGIC RECEPTOR ALLOSTERIC MODULATORS ADRB1, ADRB2, ADRA2B ADRB2 2/4885IGF1R 1379/4885MAPT 2688/4885
US-20240008488-A1 HETEROCYCLIC COMPOUND AND HARMFUL ARTHROPOD-CONTROLLING COMPOSITION INCLUDING SAME C5, C1QBP, C3AR1 ADRB2 1584/4885IGF1R 2112/4885MAPT 4719/4885
US-20110269958-A1 PYRIDONS AS PDK1 INHIBITORS PDK1, PDK2, PDK4 ADRB2 3370/4885IGF1R 160/4885MAPT 3155/4885
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use MAP3K1, MAP3K5, MAP3K2 ADRB2 1419/4885IGF1R 498/4885MAPT 4333/4885

“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.