SCHEMBL6315637

SCHEMBL6315637

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A3 Q92570 1/20 0.43
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
FGFR1 P11362 3/20 0.39
FGFR2 P21802 3/20 0.39
FGFR3 P22607 2/20 0.39
SRC P12931 2/20 0.39
FGFR4 P22455 1/20 0.39
KDR P35968 1/20 0.39
HSD11B1 P28845 2/20 0.37
MAPK14 Q16539 1/20 0.36
ABL1 P00519 2/20 0.35
GUCY1A1 Q02108 1/20 0.35
GUCY1B1 Q02153 1/20 0.35
KMT2A Q03164 2/20 0.35
SPR P35270 2/20 0.35
MST1R Q04912 1/20 0.35
ALDH1A1 P00352 2/20 0.35

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
SCHEMBL6315646 0.91 FGFR1 (0.47) NR4A3KDM4EMAPTALOX15TSHR
SCHEMBL6313865 0.88 NR4A3 (0.57) NR4A3FGFR1FGFR2FGFR3SRC
SCHEMBL6320056 0.83 NR4A3 (0.43) NR4A3KDM4EMAPTALOX15TSHR
SCHEMBL4452229 0.83 NR4A3 (0.39) NR4A3MAPTFGFR1FGFR2FGFR3
SCHEMBL4452234 0.82 SLC9A1 (0.42) NR4A3FGFR1FGFR2FGFR3SRC
Hydrochloric Acid SCHEMBL6313973 0.82 NR4A3 (0.38) NR4A3MAPTFGFR1FGFR2FGFR3
SCHEMBL6312652 0.82 FGFR1 (0.45) NR4A3KDM4EMAPTALOX15TSHR
Hydrochloric Acid SCHEMBL6313983 0.81 SLC9A1 (0.42) NR4A3FGFR1FGFR2FGFR3SRC
SCHEMBL6321499 0.79 KMT2A (0.46) NR4A3KDM4EMAPTALOX15TSHR
SCHEMBL6313878 0.79 NR4A3 (0.57) NR4A3KDM4EMAPTFGFR1FGFR2

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
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
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 2011/4885KDM4E 3920/4885MAPT 4418/4885

“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.