SCHEMBL7688013

SCHEMBL7688013

C=CCNc1nc(NCCCC)c2scc(C)c2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 2/20 0.43
PRKCI P41743 5/20 0.42
CASP6 P55212 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
SLC2A1 P11166 1/20 0.33
TLR8 Q9NR97 2/20 0.33
TLR7 Q9NYK1 2/20 0.33
CHEK2 O96017 1/20 0.32
FLT1 P17948 1/20 0.32
LPAR2 Q9HBW0 1/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 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
SCHEMBL7678778 0.96 PRKCI (0.41) SLC29A1PRKCIGAAMAPTTLR8
SCHEMBL7685780 0.95 PRKCI (0.41) SLC29A1PRKCIGAAMAPTKDM4E
SCHEMBL7688049 0.95 PRKCI (0.41) SLC29A1PRKCIGAAMAPTKDM4E
SCHEMBL7685868 0.95 PRKCI (0.41) SLC29A1PRKCIGAAMAPTKDM4E
SCHEMBL7687480 0.88 PRKCI (0.42) PRKCIGAAMAPTKDM4EMEN1
SCHEMBL7681312 0.88 PRKCI (0.41) SLC29A1PRKCIGAAMAPTKDM4E
SCHEMBL7681398 0.87 PRKCI (0.40) PRKCIGAAMAPTHSD17B10MEN1
SCHEMBL7686103 0.85 LCK (0.36) SLC29A1MAPTHSD17B10KMT2A
SCHEMBL7687758 0.81 PRKCI (0.38) PRKCIGAAMAPTMEN1CYP1A2
SCHEMBL7687988 0.81 PRKCI (0.38) PRKCIGAAMAPTRXFP1KDM4E

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 SLC29A1 253/4885PRKCI 2876/4885CASP6 3231/4885

“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.