SCHEMBL6311461

SCHEMBL6311461

NC(N)=NC(=O)c1cnn(-c2ccccc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.51
SLC9A2 Q9UBY0 2/20 0.51
P2RX7 Q99572 2/20 0.47
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HDAC1 Q13547 2/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ADORA2A P29274 2/20 0.41
ADORA1 P30542 2/20 0.41
LMNA P02545 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
PKM P14618 1/20 0.41
ADORA2B P29275 1/20 0.41
KAT2B Q92831 1/20 0.41
ELOVL1 Q9BW60 1/20 0.40

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
SCHEMBL6399279 0.82 KDM4E (0.56) P2RX7KDM4EALDH1A1HPGDMEN1
SCHEMBL1752087 0.79 P2RX7 (0.53) P2RX7KDM4EALDH1A1HPGDMEN1
SCHEMBL6311452 0.74 HDAC1 (0.51) P2RX7KDM4EALDH1A1HPGDMEN1
SCHEMBL6263444 0.73 KDM4E (0.72) SLC9A1SLC9A2KDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL6312375 0.73 CYP2C9 (0.45) SLC9A1SLC9A2KDM4EALDH1A1HSD17B10
SCHEMBL13543694 0.72 P2RX7 (0.46) P2RX7KDM4EALDH1A1HPGDMEN1
SCHEMBL32674134 0.72 MAPT (0.59) P2RX7KDM4EALDH1A1HPGDMEN1
SCHEMBL6464483 0.72 HDAC1 (0.55) P2RX7KDM4EALDH1A1HPGDMEN1
SCHEMBL14736048 0.72 P2RX7 (0.63) P2RX7KDM4EALDH1A1HPGDMEN1
Hydrochloric Acid SCHEMBL6313771 0.72 KDM4E (0.70) SLC9A1SLC9A2KDM4EALDH1A1HPGD

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 4 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

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 5/4885SLC9A2 12/4885P2RX7 3096/4885

“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.