SCHEMBL535013

SCHEMBL535013

COc1cccnc1CC#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.40
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
RAB9A P51151 5/20 0.39
NPC1 O15118 4/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PDE5A O76074 2/20 0.38
AURKA O14965 1/20 0.38
PDE10A Q9Y233 1/20 0.38
DRD2 P14416 2/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
SYK P43405 2/20 0.37
AURKB Q96GD4 1/20 0.37
INCENP Q9NQS7 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
SCHEMBL30688458 1.00 PLAU (0.40) PLAUPDGFRBPDGFRANPSR1RAB9A
SCHEMBL6952639 0.84 GRM5 (0.43) NPSR1MEN1LMNAKMT2AL3MBTL1
SCHEMBL13378356 0.83 MEN1 (0.32) MEN1KMT2AL3MBTL1
SCHEMBL30967514 0.81 PDE5A (0.44) NPSR1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL8371346 0.77 PLAU (0.44) PLAUPDGFRBPDGFRARAB9ANPC1
SCHEMBL506497 0.77 ALDH1A1 (0.55) PLAUPDGFRBPDGFRARAB9ANPC1
SCHEMBL21780451 0.76 ADORA2A (0.45) PLAUPDGFRBPDGFRARAB9ANPC1
SCHEMBL507177 0.76 PLAU (0.43) PLAUPDGFRBPDGFRARAB9ANPC1
Hydrochloric Acid SCHEMBL11095592 0.76 ALDH1A1 (0.53) PLAUPDGFRBPDGFRARAB9ANPC1
SCHEMBL8497269 0.76 PLAU (0.43) PLAUPDGFRBPDGFRANPSR1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12024531-B2 Immunoproteasome inhibitors PRINCIPIA BIOPHARMA INC. (US) 2024-07-02 US disclosed
WO-2024099898-A1 SUBSTITUTED BI-AND TRICYCLIC HSET INHIBITORS MERCK PATENT GMBH (DE) 2024-05-16 WO disclosed
CN-111491939-B Immunoproteasome inhibitors 普林斯匹亚生物制药公司 2023-12-26 CN disclosed
US-20230133165-A1 IMMUNOPROTEASOME INHIBITORS PRINCIPIA BIOPHARMA INC. 2023-05-04 US disclosed
EP-3710457-B1 IMMUNOPROTEASOME INHIBITORS PRINCIPIA BIOPHARMA INC (US) 2022-08-03 EP disclosed
US-11136296-B2 Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof BAYER AKTIENGESELLSCHAFT (DE) 2021-10-05 US disclosed
EP-3710457-A1 IMMUNOPROTEASOME INHIBITORS Principia Biopharma, Inc. (US) 2020-09-23 EP disclosed
CN-111491939-A Immunoproteasome inhibitors 普林斯匹亚生物制药公司 2020-08-04 CN disclosed
EP-3609869-A1 SUBSTITUTED N-ARYLETHYL-2-ARYLQUINOLINE-4-CARBOXAMIDES AND USE THEREOF Bayer Aktiengesellschaft (DE) 2020-02-19 EP disclosed
US-20200031775-A1 SUBSTITUTED N-ARYLETHYL-2-ARYLQUINOLINE-4-CARBOXAMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-01-30 US disclosed
EP-2300478-A1 1-HETEROCYCLYL-1,5-DIHYDRO-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS PDE9A MODULATORS Boehringer Ingelheim International GmbH (DE) 2011-03-30 EP disclosed
WO-2010112437-A1 1-HETEROCYCLYL-1, 5-DIHYDRO-PYRAZOLO [3, 4-D] PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS PDE9A MODULATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-07 WO disclosed
WO-2010026214-A1 PYRAZOLOPYRIMIDINES AND THEIR USE FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-11 WO disclosed
WO-2009121919-A1 1-HETEROCYCLYL-1,5-DIHYDRO-PYRAZOLO[3,4-D] PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS PDE9A MODULATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-08 WO disclosed
EP-0540143-B1 Compounds and methods for inhibition of HIV and related viruses MEDIVIR AB (SE) 2003-02-05 EP disclosed
US-5714503-A Compounds and methods for inhibition of HIV and related viruses MEDIVIR AB (SE) 1998-02-03 US disclosed
US-5658907-A THIOUREA VIRICIDES MEDIVIR A/B (SE) 1997-08-19 US disclosed
US-5593993-A VIRICIDES FOR HTLV TREATMENT OF AIDS MEDIVIR AB (SE) 1997-01-14 US disclosed
EP-0540143-A2 Compounds and methods for inhibition of HIV and related viruses Medivir Aktiebolag (SE) 1993-05-05 EP disclosed
WO-1993003022-A1 COMPOUNDS AND METHODS FOR INHIBITION OF HIV AND RELATED VIRUSES MEDIVIR AB (SE) 1993-02-18 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-20200031775-A1 SUBSTITUTED N-ARYLETHYL-2-ARYLQUINOLINE-4-CARBOXAMIDES AND USE THEREOF AADAC, NAT1, EPX PLAU 2244/4885PDGFRB 257/4885PDGFRA 167/4885
US-11136296-B2 Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof AADAC, NAT1, EPX PLAU 2244/4885PDGFRB 257/4885PDGFRA 167/4885
US-12024531-B2 Immunoproteasome inhibitors PSMC2, PSMB7, PSMB2 PLAU 2470/4885PDGFRB 4644/4885PDGFRA 4612/4885
US-20230133165-A1 IMMUNOPROTEASOME INHIBITORS PSMC2, PSMB7, PSMB2 PLAU 2470/4885PDGFRB 4644/4885PDGFRA 4612/4885

“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.