SCHEMBL6321925

SCHEMBL6321925

CCCc1c(C(=O)N=C(N)NOC(=O)C(F)(F)F)cnn1-c1ccc2ncccc2c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
ALDH1A1 P00352 8/20 0.35
POLB P06746 1/20 0.35
SLC9A1 P19634 2/20 0.35
MAPK1 P28482 4/20 0.35
MAPK14 Q16539 3/20 0.35
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MET P08581 3/20 0.34
ABL1 P00519 1/20 0.34
AXL P30530 1/20 0.34
GAA P10253 2/20 0.33
SLC9A2 Q9UBY0 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
SCHEMBL6392434 0.85 MET (0.36) SLC9A1LMNAMETABL1AXL
SCHEMBL4452242 0.85 SLC9A1 (0.48) MAPTALDH1A1POLBSLC9A1MAPK1
SCHEMBL6319637 0.84 ALDH1A1 (0.36) MAPTALDH1A1POLBSLC9A1MAPK1
Trifluoroacetic Acid SCHEMBL6321915 0.80 MAPT (0.45) MAPTALDH1A1POLBMAPK1MAPK14
SCHEMBL4452237 0.78 ALDH1A1 (0.43) MAPTALDH1A1POLBMAPK1MAPK14
SCHEMBL4458516 0.77 SLC9A1 (0.49) MAPTALDH1A1POLBSLC9A1LMNA
SCHEMBL6312734 0.77 NR4A3 (0.49) MAPTALDH1A1POLBMAPK1MAPK14
Hydrochloric Acid SCHEMBL6313517 0.77 SLC9A1 (0.48) ALDH1A1POLBSLC9A1LMNACYP1A2
SCHEMBL6314449 0.76 HPGD (0.46) MAPTALDH1A1MAPK1MAPK14TSHR
SCHEMBL6319630 0.73 ALDH1A1 (0.41) MAPTALDH1A1POLBMAPK1MAPK14

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
EP-1056729-B1 N-[(SUBSTITUTED FIVE-MEMBERED DI- OR TRIAZA DIUNSATURATED RING)CARBONYL]GUANIDINE DERIVATIVES FOR THE TREATMENT OF ISCHEMIA PFIZER PROD INC (US) 2004-12-29 EP 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

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 MAPT 4418/4885ALDH1A1 642/4885POLB 2803/4885

“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.