SCHEMBL7685374

SCHEMBL7685374

C=CCNc1nc(NC2CC2)c2scc(C)c2n1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 6/20 0.43
PDE4B Q07343 3/20 0.41
PDE7A Q13946 2/20 0.41
MAPT P10636 1/20 0.40
GAA P10253 1/20 0.35
IRAK4 Q9NWZ3 5/20 0.33
FLT3 P36888 1/20 0.33
TYRO3 Q06418 1/20 0.33
MERTK Q12866 1/20 0.33
GAS6 Q14393 1/20 0.33
LPAR1 Q92633 1/20 0.33
LPAR2 Q9HBW0 1/20 0.33
CHRM3 P20309 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 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 SCHEMBL7677129 0.93 PDE4B (0.45) PRKCIPDE4BPDE7AMAPTTYRO3
SCHEMBL7687480 0.86 PRKCI (0.42) PRKCIMAPTGAA
SCHEMBL7681398 0.82 PRKCI (0.40) PRKCIPDE4BPDE7AMAPTGAA
SCHEMBL7679407 0.80 PRKCI (0.36) PRKCIPDE7AMAPTGAA
SCHEMBL7679226 0.80 PRKCI (0.36) PRKCIPDE7AMAPTGAA
SCHEMBL7685186 0.80 PRKCI (0.40) PRKCIGAALPAR1LPAR2ADORA3
SCHEMBL7682019 0.79 PRKCI (0.38) PRKCIMAPTGAA
SCHEMBL7687988 0.79 PRKCI (0.38) PRKCIPDE7AMAPTGAA
SCHEMBL7687758 0.79 PRKCI (0.38) PRKCIPDE7AMAPTGAA
SCHEMBL7687755 0.79 EPHX1 (0.41) PDE4BPDE7AMAPTADORA3ADORA2A

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 2876/4885PDE4B 2479/4885PDE7A 2870/4885

“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.