SCHEMBL7685186

SCHEMBL7685186

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

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 3/20 0.40
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
GAA P10253 1/20 0.36
LPAR2 Q9HBW0 5/20 0.35
LPAR1 Q92633 3/20 0.35
ADORA2A P29274 6/20 0.33
ADORA2B P29275 3/20 0.33
ADORA3 P0DMS8 3/20 0.33
ADORA1 P30542 3/20 0.33
CRHR1 P34998 1/20 0.31

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
SCHEMBL7687432 0.89 PRKCI (0.38) PRKCIJAK2JAK3GAALPAR2
SCHEMBL7687480 0.88 PRKCI (0.42) PRKCIJAK2JAK3GAA
SCHEMBL7684268 0.86 PRKCI (0.35) PRKCIJAK2JAK3GAALPAR2
SCHEMBL7681398 0.84 PRKCI (0.40) PRKCIJAK2JAK3GAA
SCHEMBL7679407 0.82 PRKCI (0.36) PRKCIJAK2JAK3GAA
SCHEMBL7679226 0.82 PRKCI (0.36) PRKCIJAK2JAK3GAA
SCHEMBL7687988 0.81 PRKCI (0.38) PRKCIJAK2JAK3GAA
SCHEMBL7687758 0.81 PRKCI (0.38) PRKCIJAK2JAK3GAA
SCHEMBL7682019 0.81 PRKCI (0.38) PRKCIJAK2JAK3GAA
SCHEMBL7688057 0.80 GAA (0.38) PRKCIGAA

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 PRKCI 2876/4885JAK2 290/4885JAK3 1408/4885

“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.