SCHEMBL6313734

SCHEMBL6313734

CCc1c(C(=O)OC)cnn1-c1ccc2cn[nH]c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
NR4A3 Q92570 1/20 0.43
KDM4E B2RXH2 3/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MEN1 O00255 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
FGFR1 P11362 1/20 0.38
FGFR2 P21802 1/20 0.38
SPR P35270 1/20 0.38

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
SCHEMBL6321499 0.91 KMT2A (0.46) MAPTNR4A3KDM4EALOX15TSHR
SCHEMBL4461492 0.82 NR4A3 (0.40) MAPTNR4A3KDM4EALDH1A1SMN1; SMN2
SCHEMBL4461496 0.82 SLC9A1 (0.43) MAPTNR4A3KDM4EALDH1A1KMT2A
Hydrochloric Acid SCHEMBL6314604 0.81 NR4A3 (0.38) MAPTNR4A3KDM4EALDH1A1SMN1; SMN2
SCHEMBL6312659 0.81 FGFR1 (0.52) FGFR1FGFR2
Hydrochloric Acid SCHEMBL6314608 0.80 SLC9A1 (0.42) MAPTNR4A3KDM4EALDH1A1SMN1; SMN2
SCHEMBL6315646 0.79 FGFR1 (0.47) MAPTNR4A3KDM4EALOX15TSHR
SCHEMBL6320056 0.79 NR4A3 (0.43) MAPTNR4A3KDM4EALOX15TSHR
SCHEMBL6312652 0.78 FGFR1 (0.45) MAPTNR4A3KDM4EALOX15TSHR
SCHEMBL6313743 0.78 NR4A3 (0.41) MAPTNR4A3KDM4EALOX15TSHR

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 MAPT 4418/4885NR4A3 2011/4885KDM4E 3920/4885

“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.