SCHEMBL1600286

SCHEMBL1600286

c1cc(-c2ncco2)c2cccnc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.46
MAPT P10636 4/20 0.45
KDM4E B2RXH2 2/20 0.45
BRD4 O60885 1/20 0.44
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
ACVR1 Q04771 3/20 0.41
POLB P06746 1/20 0.40
NCF1 P14598 1/20 0.39
ATR Q13535 1/20 0.39
P2RX7 Q99572 1/20 0.39
NPC1 O15118 2/20 0.39
TP53 P04637 2/20 0.39
RAB9A P51151 2/20 0.39
PTK2B Q14289 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL31571148 1.00 ALOX15 (0.46) ALOX15MAPTKDM4EBRD4CA12
SCHEMBL2724703 0.89 BRD4 (0.50) MAPTKDM4EBRD4ACVR1NCF1
SCHEMBL26259967 0.87 BRD4 (0.53) MAPTKDM4EBRD4NPC1TP53
SCHEMBL11363800 0.79 BRD4 (0.57) MAPTKDM4EBRD4NCF1NPC1
SCHEMBL198641 0.79 MAPT (0.64) MAPTKDM4ECA12CA1CA2
SCHEMBL50810 0.79 ALDH1A1 (0.51) ALOX15MAPTKDM4EBRD4NCF1
SCHEMBL7918743 0.77 MAPT (0.56) MAPTKDM4ECA12CA1CA2
SCHEMBL29005597 0.77 KDM4E (0.58) ALOX15MAPTKDM4ECA12CA1
SCHEMBL29364102 0.77 KDM4E (0.58) ALOX15MAPTKDM4ECA12CA1
SCHEMBL11444284 0.77 PLAU (0.46) KDM4EBRD4POLBNPC1TP53

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
WO-2009132453-A1 CYCLYLAMINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2009-11-05 WO claimed
US-20090270394-A1 CYCLYLAMINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2009-10-29 US claimed
EP-4472734-A1 HETEROCYCLIC DERIVATIVES AS MALT1 INHIBITORS C4X Discovery Limited (GB) 2024-12-11 EP disclosed
WO-2023148501-A1 HETEROCYCLIC DERIVATIVES AS MALT1 INHIBITORS C4X DISCOVERY LIMITED (GB) 2023-08-10 WO disclosed
WO-2023148501-A1 HETEROCYCLIC DERIVATIVES AS MALT1 INHIBITORS C4X DISCOVERY LIMITED (GB) 2023-08-10 WO disclosed
CN-105498052-A Apparatus and method for aerosol delivery to the lungs or other locations of the body PENN-CENTURY INC 2016-04-20 CN disclosed
CN-102883765-B Device and method for delivering aerosol to the lungs or other locations of the body Penn-Century, Inc. (US) 2015-12-09 CN disclosed
US-8974771-B2 Apparatus and method for aerosol delivery to the lungs or other locations of the body Penn-Century, Inc. (US) 2015-03-10 US disclosed
CN-101547920-B Xinafoate salt of a substituted 5-oxazol-2-yl-quinoline compound SCHERING CORP 2012-06-27 CN disclosed
US-20110223116-A1 APPARATUS AND METHOD FOR AEROSOL DELIVERY TO THE LUNGS OR OTHER LOCATIONS OF THE BODY Penn-Century, Inc. (US) 2011-09-15 US disclosed
US-7919505-B2 Xinafoate salt of a substituted 5-oxazol-2-yl-quinoline compound SCHERING CORPORATION (US) 2011-04-05 US disclosed
US-20100324295-A1 PROCESS FOR THE PRODUCTION OF SUBSTITUTED 5-QUINOLYL-OXAZOLES AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF SCHERING CORPORATION 2010-12-23 US disclosed
CN-101796049-A Process for preparing substituted 5-quinolyl-oxazoles and pharmaceutically acceptable salts thereof SCHERING CORP 2010-08-04 CN disclosed
CN-101796049-A Process for preparing substituted 5-quinolyl-oxazoles and pharmaceutically acceptable salts thereof SCHERING CORP 2010-08-04 CN disclosed
EP-2178867-A1 PROCESS FOR THE PRODUCTION OF SUBSTITUTED 5-QUINOLYL-OXAZOLES AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF SCHERING CORPORATION (US) 2010-04-28 EP disclosed
WO-2009132453-A1 CYCLYLAMINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2009-11-05 WO disclosed
US-20090270394-A1 CYCLYLAMINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2009-10-29 US disclosed
CN-101547920-A Xinafoate salt of a substituted 5-oxazol-2-yl-quinoline compound SCHERING CORP (US) 2009-09-30 CN disclosed
WO-2009009003-A1 PROCESS FOR THE PRODUCTION OF SUBSTITUTED 5-QUINOLYL-OXAZOLES AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF SCHERING CORPORATION (US) 2009-01-15 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-20090270394-A1 CYCLYLAMINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CACNA1G, CACNA1H, CACNA1I ALOX15 3568/4885MAPT 1830/4885KDM4E 4332/4885
US-20100324295-A1 PROCESS FOR THE PRODUCTION OF SUBSTITUTED 5-QUINOLYL-OXAZOLES AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF PDE4B, PDE4A, PDE3B ALOX15 3166/4885MAPT 4571/4885KDM4E 368/4885

“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.