SCHEMBL4166356

SCHEMBL4166356

O=C(O)C1=Cc2ccncc2CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 8/20 0.38
SIGMAR1 Q99720 1/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4D Q6B0I6 2/20 0.37
KDM6B O15054 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
KDM4A O75164 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TBXAS1 P24557 4/20 0.36
NAPRT Q6XQN6 1/20 0.35
APP P05067 1/20 0.35
GAA P10253 1/20 0.35
HCAR3 P49019 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
CHRNB2 P17787 1/20 0.34

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
SCHEMBL6996447 0.75 RAB9A (0.58) MEN1KMT2ANAMPTROCK2
SCHEMBL983738 0.74 MAOA (0.49) ALDH1A1KDM4ETBXAS1NAPRTCYP19A1
SCHEMBL29427899 0.74 MAOA (0.49) ALDH1A1KDM4ETBXAS1NAPRTCYP19A1
SCHEMBL15559911 0.74 KDM4C (0.38) KDM4CSIGMAR1ALDH1A1KDM4DKDM6B
SCHEMBL28572910 0.72 ALDH1A1 (0.44) ALDH1A1KDM4EL3MBTL1GAACYP11B2
SCHEMBL27791683 0.71 KDM4C (0.37) KDM4CALDH1A1KDM4DKDM6BKDM4E
SCHEMBL2881143 0.71 JAK2 (0.35) TBXAS1ROCK2
SCHEMBL31283788 0.71 MEN1 (0.32) KDM4CKDM4EMEN1MAPTKMT2A
SCHEMBL5694268 0.70 AKR1B1 (0.39) ALDH1A1TBXAS1
SCHEMBL949200 0.70 NOTUM (0.38) ALDH1A1KDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1037633-B1 ANTIVIRAL COMPOUNDS IAF BIOCHEM INT (CA) 2003-09-10 EP claimed
US-20010031765-A1 Antiviral compounds BIOCHEM PHARMA INC. 2001-10-18 US claimed
US-6255318-B1 CYTOMEGLO VIRUS BIOCHEM PHARMA INC. (CA) 2001-07-03 US claimed
CN-1283995-A Antiviral compounds IAF BIOCHEM INT (CA) 2001-02-14 CN claimed
EP-1037633-A1 ANTIVIRAL COMPOUNDS BIOCHEM PHARMA INC (CA) 2000-09-27 EP claimed
WO-1999029318-A1 ANTIVIRAL COMPOUNDS BIOCHEM PHARMA INC. (CA) 1999-06-17 WO claimed
US-8193359-B2 G-protein coupled receptor agonists PROSIDION LIMITED (GB) 2012-06-05 US disclosed
US-20090099227-A1 G-Protein Coupled Receptor Agonists PROSIDION LIMITED (GB) 2009-04-16 US disclosed
EP-1838706-A1 G-PROTEIN COUPLED RECEPTOR AGONISTS Prosidion Limited (GB) 2007-10-03 EP disclosed
WO-2006067532-A1 G-PROTEIN COUPLED RECEPTOR AGONISTS PROSIDION LTD (GB) 2006-06-29 WO disclosed
EP-1037633-B1 ANTIVIRAL COMPOUNDS IAF BIOCHEM INT (CA) 2003-09-10 EP disclosed
US-6534520-B2 Antiviral compounds BIOCHEM PHARMA INC. (CA) 2003-03-18 US disclosed
US-20010031765-A1 Antiviral compounds BIOCHEM PHARMA INC. 2001-10-18 US disclosed
US-6255318-B1 CYTOMEGLO VIRUS BIOCHEM PHARMA INC. (CA) 2001-07-03 US disclosed
CN-1283995-A Antiviral compounds IAF BIOCHEM INT (CA) 2001-02-14 CN disclosed
EP-1037633-A1 ANTIVIRAL COMPOUNDS BIOCHEM PHARMA INC (CA) 2000-09-27 EP disclosed
EP-0984967-A1 NAPHTHYRIDINE DERIVATIVES AND THEIR ANALOGUES INHIBITING CYTOMEGALOVIRUS BIOCHEM PHARMA INC (CA) 2000-03-15 EP disclosed
WO-1999029318-A1 ANTIVIRAL COMPOUNDS BIOCHEM PHARMA INC. (CA) 1999-06-17 WO disclosed
CN-1218473-A Naphthyridine derivatives and their analogues inhibiting cytomegalovirus IAF BIOCHEM INT (CA) 1999-06-02 CN disclosed
WO-1997034894-A1 NAPHTHYRIDINE DERIVATIVES AND THEIR ANALOGUES INHIBITING CYTOMEGALOVIRUS BIOCHEM PHARMA INC. (CA) 1997-09-25 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-20010031765-A1 Antiviral compounds ZC3HAV1, IFNAR1, EIF2AK2 KDM4C 2186/4885SIGMAR1 505/4885ALDH1A1 2126/4885
US-20090099227-A1 G-Protein Coupled Receptor Agonists GPR119, GPR65, GPR84 KDM4C 4820/4885SIGMAR1 305/4885ALDH1A1 1262/4885

“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.