SCHEMBL4775643

SCHEMBL4775643

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.64
PKM P14618 2/20 0.62
ADORA2A P29274 2/20 0.58
LMNA P02545 1/20 0.58
ADORA3 P0DMS8 1/20 0.58
ADORA2B P29275 1/20 0.58
ADORA1 P30542 1/20 0.58
KAT2B Q92831 1/20 0.58
ALDH1A1 P00352 4/20 0.53
HPGD P15428 2/20 0.51
TSHR P16473 1/20 0.51
MAPT P10636 4/20 0.47
TP53 P04637 2/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
NPY1R P25929 1/20 0.44

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
SCHEMBL316035 0.87 KDM4E (0.75) KDM4EPKMADORA2ALMNAADORA3
SCHEMBL15603237 0.86 PKM (0.59) KDM4EPKMADORA2ALMNAADORA3
SCHEMBL26843132 0.86 PKM (0.59) KDM4EPKMADORA2ALMNAADORA3
SCHEMBL6314841 0.86 PKM (0.72) KDM4EPKMADORA2ALMNAADORA3
Hydrochloric Acid SCHEMBL19118816 0.86 KDM4E (0.73) KDM4EPKMADORA2ALMNAADORA3
SCHEMBL6313820 0.83 ALDH1A1 (0.58) KDM4EPKMADORA2ALMNAADORA3
SCHEMBL6319959 0.82 PKM (0.55) KDM4EPKMADORA2ALMNAADORA3
SCHEMBL27593819 0.82 MAPT (0.64) KDM4EPKMADORA2ALMNAADORA3
SCHEMBL6314682 0.81 PKM (0.75) KDM4EPKMADORA2ALMNAADORA3
SCHEMBL11383061 0.81 KDM4E (0.55) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1713778-B1 BENZAZEPINE DERIVATIVES AS HISTAMINE H3 ANTAGONISTS GLAXO GROUP LTD (GB) 2008-01-16 EP disclosed
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
US-4261855-A OPTICAL BRIGHTENERS, FLUORESCENT DYES CIBA-GEIGY CORPORATION (US) 1981-04-14 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.