SCHEMBL6313758

SCHEMBL6313758

Cc1nn(-c2cc(Cl)cc(Cl)c2)nc1C(=O)N=C(N)N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 12/20 0.54
PKM P14618 2/20 0.50
KDM4E B2RXH2 3/20 0.47
LMNA P02545 3/20 0.47
ADORA2A P29274 2/20 0.47
ADORA3 P0DMS8 1/20 0.47
ADORA2B P29275 1/20 0.47
ADORA1 P30542 1/20 0.47
KAT2B Q92831 1/20 0.47
SCD O00767 1/20 0.43
ALDH1A1 P00352 2/20 0.39
GLA P06280 2/20 0.39
GAA P10253 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
SLC22A1 O15245 1/20 0.39
PLAU P00749 1/20 0.39
CYP1A2 P05177 1/20 0.39
HTR1A P08908 1/20 0.39
CYP2D6 P10635 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
SCHEMBL6320673 0.87 PKM (0.52) SLC9A1PKMKDM4ELMNAADORA2A
SCHEMBL6319217 0.86 PKM (0.71) SLC9A1PKMKDM4ELMNAADORA2A
SCHEMBL6319669 0.83 PKM (0.49) SLC9A1PKMKDM4ELMNAADORA2A
SCHEMBL6312708 0.81 PKM (0.71) PKMKDM4ELMNAADORA2AADORA3
SCHEMBL6319600 0.81 KDM4E (0.55) SLC9A1PKMKDM4ELMNAADORA2A
SCHEMBL6263444 0.81 KDM4E (0.72) SLC9A1PKMKDM4ELMNAADORA2A
Hydrochloric Acid SCHEMBL6313771 0.79 KDM4E (0.70) SLC9A1PKMKDM4ELMNAADORA2A
SCHEMBL6321418 0.79 PKM (0.54) SLC9A1PKMKDM4ELMNAADORA2A
SCHEMBL6259454 0.77 PKM (0.51) SLC9A1PKMKDM4ELMNAADORA2A
SCHEMBL6313754 0.76 PKM (0.47) PKMKDM4ELMNAADORA2AADORA3

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 3 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

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 SLC9A1 5/4885PKM 3050/4885KDM4E 3920/4885

“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.