SCHEMBL7681384

SCHEMBL7681384

C=CCNc1nc(NC(=O)OC(C)(C)C)c2scc(C)c2n1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PI4KB Q9UBF8 1/20 0.36
LCK P06239 9/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
HTT P42858 2/20 0.34
HSD17B10 Q99714 2/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 1/20 0.34
PIK3CG P48736 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SREBF2 Q12772 1/20 0.32
PRKCI P41743 1/20 0.32

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
Hydrochloric Acid SCHEMBL7685761 0.83 MAPT (0.34) LCKALDH1A1MAPTHTTHSD17B10
SCHEMBL7681529 0.82 GAA (0.40) ALDH1A1MAPTHTTHSD17B10KDM4E
SCHEMBL7687480 0.80 PRKCI (0.42) ALDH1A1MAPTKDM4ESMN1; SMN2GAA
SCHEMBL7679407 0.79 PRKCI (0.36) ALDH1A1MAPTHTTHSD17B10KDM4E
SCHEMBL7687758 0.78 PRKCI (0.38) ALDH1A1MAPTSMN1; SMN2GAAPRKCI
SCHEMBL7685320 0.78 ADORA2A (0.40) ALDH1A1MAPTHTTHSD17B10KDM4E
SCHEMBL7686125 0.78 PRKCI (0.35) GAAPRKCI
SCHEMBL7686103 0.77 LCK (0.36) LCKALDH1A1MAPTHTTHSD17B10
SCHEMBL7681398 0.77 PRKCI (0.40) ALDH1A1MAPTHTTHSD17B10SMN1; SMN2
SCHEMBL7687988 0.76 PRKCI (0.38) ALDH1A1MAPTKDM4ESMN1; SMN2GAA

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-6339089-B2 ANTIHYPOXIC AGENTS; CHRONIC OBSTRUCTIVE PULMONARY DISEASE; VASOCONSTRICTION; REDUCES BLOOD PARTIAL PRESSURE OF CARBON DIOXIDE; RESPIRATORY DISORDERS; UNDER OXYGEN INHALATION TREATMENT FUJIREBIO INC. (JP) 2002-01-15 US disclosed
US-20010006969-A1 PYRIMIDINE NUCLEUS-CONTAINING COMPOUND AND A MEDICAMENT CONTAINING THE SAME FOR A BLOOD OXYGEN PARTIAL PRESSURE AMELIORATION, AND A METHOD FOR PREPARING THE SAME FUJIREBIO INC. (FUJIREBIO KABUSHIKI KAISHA) (JP) 2001-07-05 US disclosed
EP-0899263-A2 Fused pyrimidine derivatives and medicaments thereof for a blood oxygen partial pressure amelioration Fujirebio Inc. (JP) 1999-03-03 EP 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-20010006969-A1 PYRIMIDINE NUCLEUS-CONTAINING COMPOUND AND A MEDICAMENT CONTAINING THE SAME FOR A BLOOD OXYGEN PARTIAL PRESSURE AMELIORATION, AND A METHOD FOR PREPARING THE SAME CYP11B2, CYP11B1, OAT PI4KB 4189/4885LCK 2292/4885ALDH1A1 1631/4885

“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.