SCHEMBL6313865

SCHEMBL6313865

CCc1c(C(=O)O)cnn1-c1ccc2[nH]cnc2c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR4A3 Q92570 1/20 0.57
HSD11B1 P28845 1/20 0.41
FGFR1 P11362 5/20 0.40
FGFR2 P21802 5/20 0.40
FGFR3 P22607 5/20 0.40
SRC P12931 2/20 0.40
FGFR4 P22455 2/20 0.40
KDR P35968 2/20 0.40
KEAP1 Q14145 5/20 0.35
NFE2L2 Q16236 5/20 0.35
CTNNB1 P35222 1/20 0.35
WNT3A P56704 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
KHK P50053 1/20 0.34
MAPK14 Q16539 1/20 0.33
HTR1A P08908 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33

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
SCHEMBL6313878 0.91 NR4A3 (0.57) NR4A3HSD11B1FGFR1FGFR2FGFR3
SCHEMBL6315637 0.88 NR4A3 (0.43) NR4A3HSD11B1FGFR1FGFR2FGFR3
SCHEMBL4452234 0.85 SLC9A1 (0.42) NR4A3HSD11B1FGFR1FGFR2FGFR3
Hydrochloric Acid SCHEMBL6313983 0.84 SLC9A1 (0.42) NR4A3HSD11B1FGFR1FGFR2FGFR3
SCHEMBL4452229 0.83 NR4A3 (0.39) NR4A3HSD11B1FGFR1FGFR2FGFR3
Hydrochloric Acid SCHEMBL6313973 0.82 NR4A3 (0.38) NR4A3HSD11B1FGFR1FGFR2FGFR3
SCHEMBL6313429 0.81 NR4A3 (0.56) NR4A3FGFR1FGFR2FGFR3SRC
SCHEMBL6321394 0.81 NFE2L2 (0.58) HSD11B1KEAP1NFE2L2
SCHEMBL6315646 0.79 FGFR1 (0.47) NR4A3HSD11B1FGFR1FGFR2FGFR3
SCHEMBL6313435 0.76 NR4A3 (0.56) NR4A3FGFR1FGFR2FGFR3SRC

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
EP-1454902-A1 N- (substituted five-membered di-or triaza diunsaturated ring)carbonyl guanidine derivateives for the treatment of ischemia Pfizer Products Inc. (US) 2004-09-08 EP 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
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 NR4A3 2011/4885HSD11B1 576/4885FGFR1 2482/4885

“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.