SCHEMBL6319600

SCHEMBL6319600

Cc1ccc(-n2nc(C)c(C(=O)N=C(N)N)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.55
PKM P14618 3/20 0.55
ADORA2A P29274 2/20 0.55
LMNA P02545 1/20 0.55
ADORA3 P0DMS8 1/20 0.55
ADORA2B P29275 1/20 0.55
ADORA1 P30542 1/20 0.55
KAT2B Q92831 1/20 0.55
TP53 P04637 4/20 0.42
SLC9A1 P19634 4/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 5/20 0.40
GAA P10253 3/20 0.40
MAPT P10636 5/20 0.40
NPY1R P25929 1/20 0.40
MAOB P27338 1/20 0.40
RECQL P46063 1/20 0.40
NPY2R P49146 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
SCHEMBL6320673 0.88 PKM (0.52) KDM4EPKMADORA2ALMNAADORA3
SCHEMBL6263444 0.88 KDM4E (0.72) KDM4EPKMADORA2ALMNAADORA3
Hydrochloric Acid SCHEMBL6313771 0.87 KDM4E (0.70) KDM4EPKMADORA2ALMNAADORA3
Hydrochloric Acid SCHEMBL6313315 0.85 ALDH1A1 (0.58) KDM4EPKMADORA2ALMNAADORA3
Hydrochloric Acid SCHEMBL6313175 0.84 KDM4E (0.48) KDM4EPKMADORA2ALMNAADORA3
Hydrochloric Acid SCHEMBL6313655 0.84 KDM4E (0.48) KDM4EPKMADORA2ALMNAADORA3
SCHEMBL6321418 0.83 PKM (0.54) KDM4EPKMADORA2ALMNAADORA3
SCHEMBL6319669 0.82 PKM (0.49) KDM4EPKMADORA2ALMNAADORA3
SCHEMBL6313758 0.81 SLC9A1 (0.54) KDM4EPKMADORA2ALMNAADORA3
Hydrochloric Acid SCHEMBL6313066 0.80 PKM (0.50) KDM4EPKMADORA2ALMNAADORA3

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 KDM4E 3920/4885PKM 3050/4885ADORA2A 999/4885

“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.