SCHEMBL6313339

SCHEMBL6313339

COc1cccc(-n2nc(C)c(C(=O)O)n2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.69
KDM4E B2RXH2 4/20 0.54
LMNA P02545 3/20 0.54
ADORA2A P29274 2/20 0.54
ADORA2B P29275 2/20 0.54
ADORA1 P30542 2/20 0.54
ADORA3 P0DMS8 1/20 0.54
KAT2B Q92831 1/20 0.54
NOTUM Q6P988 1/20 0.51
PIN1 Q13526 1/20 0.51
ALDH1A1 P00352 4/20 0.51
MAPT P10636 1/20 0.51
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
THRB P10828 1/20 0.47
ALKBH5 Q6P6C2 1/20 0.47
HDAC1 Q13547 1/20 0.47
RAB9A P51151 2/20 0.46

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
SCHEMBL6313820 0.85 ALDH1A1 (0.58) PKMKDM4ELMNAADORA2AADORA2B
SCHEMBL3709039 0.84 SLC9A1 (0.53) PKMKDM4ELMNAADORA2AADORA2B
SCHEMBL6314682 0.83 PKM (0.75) PKMKDM4ELMNAADORA2AADORA2B
Hydrochloric Acid SCHEMBL6312346 0.83 SLC9A1 (0.52) PKMKDM4ELMNAADORA2AADORA2B
SCHEMBL316035 0.82 KDM4E (0.75) PKMKDM4ELMNAADORA2AADORA2B
SCHEMBL3327114 0.82 PKM (1.00) PKMKDM4ELMNAADORA2AADORA2B
SCHEMBL3709038 0.81 PKM (0.47) PKMKDM4ELMNAADORA2AADORA2B
Hydrochloric Acid SCHEMBL19118816 0.81 KDM4E (0.73) PKMKDM4ELMNAADORA2AADORA2B
SCHEMBL6314635 0.81 PKM (0.71) PKMKDM4ELMNAADORA2AADORA2B
Hydrochloric Acid SCHEMBL6312337 0.80 PKM (0.46) PKMKDM4ELMNAADORA2AADORA2B

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6974813-B2 N-[(substituted five-membered di-or triaza diunsaturated ring) carbonyl] guanidine derivatives for the treatment of ischemia WARNER-LAMBERT COMPANY (US) 2005-12-13 US disclosed
US-20030149043-A1 N-[(substituted five-membered di-or triaza diunsaturated ring)carbonyl] guanidine derivatives for the treatment of ischemia PFIZER INC. 2003-08-07 US disclosed
US-6492401-B1 SODIUM HYDROGEN EXCHANGER TYPE 1 INHIBITORS; REDUCING PERIOPERATIVE MYOCARDIAL TISSUE DAMAGE PFIZER, INC. 2002-12-10 US disclosed
CN-1289326-A N-[(substituted five-membered di-or thiaza diunsaturated ring) carbonyl] guanidine derivatives for the treatment of ischemia PFIZER PROD INC (US) 2001-03-28 CN disclosed
EP-1056729-A1 N-[(SUBSTITUTED FIVE-MEMBERED DI- OR TRIAZA DIUNSATURATED RING)CARBONYL]GUANIDINE DERIVATIVES FOR THE TREATMENT OF ISCHEMIA Pfizer Products Inc. (US) 2000-12-06 EP disclosed
WO-1999043663-A1 N-[(SUBSTITUTED FIVE-MEMBERED DI- OR TRIAZA DIUNSATURATED RING)CARBONYL] GUANIDINE DERIVATIVES FOR THE TREATMENT OF ISCHEMIA PFIZER PRODUCTS INC. (US) 1999-09-02 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 (1 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-20030149043-A1 N-[(substituted five-membered di-or triaza diunsaturated ring)carbonyl] guanidine derivatives for the treatment of ischemia NHERF1, SLC28A1, TNNI3 PKM 3050/4885KDM4E 3920/4885LMNA 1626/4885

“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.