SCHEMBL275756

SCHEMBL275756

[c]1nccc2ncccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 5/20 0.39
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
CYP3A4 P08684 2/20 0.33
HTT P42858 4/20 0.32
LMNA P02545 3/20 0.32
HSP90AA1 P07900 3/20 0.32
MEN1 O00255 2/20 0.32
CASP1 P29466 2/20 0.32
KMT2A Q03164 2/20 0.32
HSP90AB1 P08238 2/20 0.32
HIF1A Q16665 2/20 0.32
TP53 P04637 2/20 0.32
TSHR P16473 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CASP7 P55210 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL17511951 0.74 MAPT (0.59) MAPTKDM4EALDH1A1NPC1POLB
SCHEMBL82882 0.70 EGFR (0.37) MAPTALDH1A1RAB9AMEN1KMT2A
SCHEMBL3929334 0.70 MAPT (0.38) MAPTKDM4EALDH1A1NPC1POLB
SCHEMBL4055162 0.70 EGFR (0.38)
SCHEMBL18594 0.68 ALDH1A1 (0.44) MAPTKDM4EALDH1A1NPC1POLB
SCHEMBL276596 0.68 KDM4E (0.41) MAPTKDM4EALDH1A1NPC1POLB
SCHEMBL3933853 0.68
SCHEMBL994997 0.67
SCHEMBL3941115 0.67 MAPK1 (0.30)
SCHEMBL2080 0.67 ALDH1A1 (0.35) MAPTKDM4EALDH1A1CYP1A2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240034737-A1 Heterocyclic Derivatives as P2X7 Receptor Antagonists BREYE THERAPEUTICS APS (DK) 2024-02-01 US claimed
CN-117157291-A Heterocyclic derivatives as P2X7 receptor antagonists 布雷耶疗法有限公司 2023-12-01 CN claimed
EP-4015039-A1 HETEROCYCLIC DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS AXXAM S.p.A. (IT) 2022-06-22 EP claimed
EP-2356103-B1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS TAKEDA GMBH (DE) 2015-08-26 EP claimed
US-8609848-B2 Pyrazolone-derivatives and their use as PDE-4 inhibitors TAKEDA GMBH (DE) 2013-12-17 US claimed
US-20110218201-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PDE-4 INHIBITORS NYCOMED GMBH (DE) 2011-09-08 US claimed
US-6884802-B2 6-heteroarylphenanthridines ALTANA PHARMA AG (DE) 2005-04-26 US claimed
EP-1449835-A2 Alpha-substituted pyrimidine-thioalkyl and alkylether compounds PHARMACIA & UPJOHN COMPANY (US) 2004-08-25 EP claimed
US-20040038979-A1 Treating airway disorders such as asthma. ALTANA PHARMA AG (DE) 2004-02-26 US claimed
EP-1247804-A1 Pyrimidine-thioalkyl and alkylether compounds PHARMACIA & UPJOHN COMPANY (US) 2002-10-09 EP claimed
US-6124306-A Thioalkyl alpha substituted pyrimidine compounds PHARMACIA & UPJOHN COMPANY (US) 2000-09-26 US claimed
EP-1034167-A1 ALPHA-ALKYLTHIO SUBSTITUTED PYRIMIDINE ETHERS AND THIOETHERS AS VIRAL REVERSE TRANSCRIPTASE INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 2000-09-13 EP claimed
US-6043248-A VIRICIDES FOR TREATING AN INDIVIDUAL INFECTED WITH THE HUMAN IMMUNODEFICIENCY VIRUS PHARMACIA & UPJOHN COMPANY (US) 2000-03-28 US claimed
US-5981537-A USEFUL IN THE TREATMENT OF INDIVIDUALS WHO ARE HIV POSITIVE PHARMACIA & UPJOHN COMPANY (US) 1999-11-09 US claimed
WO-1999019304-A9 ALPHA-ALKYLTHIO SUBSTITUTED PYRIMIDINE ETHERS AND THIOETHERS AS VIRAL REVERSE TRANSCRIPTASE INHIBITORS UPJOHN CO (US) 1999-07-08 WO claimed
WO-1999019304-A2 ALPHA-ALKYLTHIO SUBSTITUTED PYRIMIDINE ETHERS AND THIOETHERS AS VIRAL REVERSE TRANSCRIPTASE INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 1999-04-22 WO claimed
EP-0824524-A1 ALPHA-SUBSTITUTED PYRIMIDINE-THIOALKYL AND ALKYLETHER COMPOUNDS AS INHIBITORS OF VIRAL REVERSE TRANSCRIPTASE PHARMACIA & UPJOHN COMPANY (US) 1998-02-25 EP claimed
WO-1996035678-A1 ALPHA-SUBSTITUTED PYRIMIDINE-THIOALKYL AND ALKYLETHER COMPOUNDS AS INHIBITORS OF VIRAL REVERSE TRANSCRIPTASE PHARMACIA & UPJOHN COMPANY (US) 1996-11-14 WO claimed
EP-0728130-A1 PYRIMIDINE-THIOALKYL AND ALKYLETHER COMPOUNDS PHARMACIA & UPJOHN COMPANY (US) 1996-08-28 EP claimed
WO-1995013267-A1 PYRIMIDINE-THIOALKYL AND ALKYLETHER COMPOUNDS THE UPJOHN COMPANY (US) 1995-05-18 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20040038979-A1 Treating airway disorders such as asthma. PTGER4, PDE4B, PDE4A MAPT 4842/4885KDM4E 2186/4885ALDH1A1 779/4885
US-20240034737-A1 Heterocyclic Derivatives as P2X7 Receptor Antagonists P2RX7, P2RX3, P2RX1 MAPT 3975/4885KDM4E 4086/4885ALDH1A1 1794/4885
US-20110218201-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PDE-4 INHIBITORS PDE4A, PDE3B, PDE3A MAPT 4257/4885KDM4E 645/4885ALDH1A1 344/4885

“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.