SCHEMBL524326

SCHEMBL524326

COc1cc(C#N)cc(Cl)c1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.44
ALDH1A1 P00352 1/20 0.44
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
CACNA1G O43497 1/20 0.39
CACNA1B Q00975 1/20 0.39
AR P10275 3/20 0.39
GPR35 Q9HC97 1/20 0.39
ACHE P22303 1/20 0.39
GAA P10253 1/20 0.38
ACLY P53396 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MCL1 Q07820 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
CA9 Q16790 1/20 0.38
LRRK2 Q5S007 1/20 0.37

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
SCHEMBL509507 0.86 ACHE (0.52) HPGDALDH1A1PDE4APDE4BPDE4C
SCHEMBL3746214 0.84 GAA (0.44) HPGDALDH1A1PDE4APDE4BPDE4C
SCHEMBL5950343 0.79 ACLY (0.45) ALDH1A1ARGPR35GAAACLY
SCHEMBL1175171 0.79 CYP19A1 (0.47) HPGDALDH1A1PDE4APDE4BPDE4C
SCHEMBL523729 0.78 AR (0.46) PDE4APDE4BPDE4CPDE4DCACNA1G
SCHEMBL523635 0.77 TSHR (0.46) PDE4APDE4BPDE4CPDE4DCACNA1G
SCHEMBL7129305 0.77 TTR (0.50) HPGDALDH1A1PDE4APDE4BPDE4C
SCHEMBL14108054 0.77 PDE5A (0.37) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL14083411 0.77 ACLY (0.37) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL524339 0.74 AR (0.58) ALDH1A1ARGAAMEN1KMT2A

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-9187478-B2 Substituted naphthyridines and their use as medicaments Boehringer Ingellheim International GmbH (DE) 2015-11-17 US disclosed
US-9187478-B2 Substituted naphthyridines and their use as medicaments Boehringer Ingellheim International GmbH (DE) 2015-11-17 US disclosed
US-9187478-B2 Substituted naphthyridines and their use as medicaments Boehringer Ingellheim International GmbH (DE) 2015-11-17 US disclosed
EP-2528915-B1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS SYK KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2015-10-28 EP disclosed
EP-2528915-B1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS SYK KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2015-10-28 EP disclosed
US-20150126503-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2015-05-07 US disclosed
US-20150126503-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2015-05-07 US disclosed
US-20150126503-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2015-05-07 US disclosed
US-8969568-B2 Substituted naphthyridines and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2015-03-03 US disclosed
US-8969568-B2 Substituted naphthyridines and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2015-03-03 US disclosed
US-8969568-B2 Substituted naphthyridines and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2015-03-03 US disclosed
EP-2528915-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS SYK KINASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2012-12-05 EP disclosed
US-20120028939-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-02 US disclosed
US-20120028939-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-02 US disclosed
US-20120028939-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-02 US disclosed
WO-2011092128-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS SYK KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-04 WO disclosed
WO-2011092128-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS SYK KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-04 WO disclosed
EP-0346367-A1 ARYL- AND ARYLOXY-SUBSTITUTED TERT.-ALKYLENAMINES, PROCESS FOR THEIR MANUFACTURE AND THEIR USE IN PHARMACY SCHERING AKTIENGESELLSCHAFT (DE) 1989-12-20 EP disclosed
WO-1988006580-A1 ARYL- AND ARYLOXY-SUBSTITUTED TERT.-ALKYLENAMINES, PROCESS FOR THEIR MANUFACTURE AND THEIR USE IN PHARMACY SCHERING AKTIENGESELLSCHAFT (DE) 1988-09-07 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 (2 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-20120028939-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS MEDICAMENTS NR4A3, NR0B1, NR4A1 HPGD 1484/4885ALDH1A1 1077/4885PDE4A 1346/4885
US-20150126503-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS MEDICAMENTS NR4A3, NR0B1, NR4A1 HPGD 1484/4885ALDH1A1 1077/4885PDE4A 1346/4885

“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.