SCHEMBL7687484

SCHEMBL7687484

C=CCN(CC=C)c1ncnc2c(C)csc12

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.56
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.41
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PDPK1 O15530 1/20 0.36
MAPT P10636 3/20 0.34
RAB9A P51151 1/20 0.34
PRKCI P41743 1/20 0.32
LPAR2 Q9HBW0 1/20 0.32
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
SCHEMBL7687996 0.85 MAPK1 (0.40) MAPK1ALDH1A1KDM4ELMNACYP1A2
SCHEMBL7683165 0.84 MAPK1 (0.40) MAPK1ALDH1A1KDM4ELMNACYP1A2
SCHEMBL7682952 0.83 MAPK1 (0.39) MAPK1ALDH1A1KDM4ELMNACYP1A2
SCHEMBL29116558 0.83 MAPK1 (0.60) MAPK1NPC1PKMALDH1A1KDM4E
SCHEMBL7683918 0.82 MAPK1 (0.39) MAPK1ALDH1A1KDM4ELMNACYP1A2
SCHEMBL7679185 0.78 PDPK1 (0.42) MAPK1LMNACYP1A2CYP3A4CYP2C19
SCHEMBL7679209 0.77 PRKCI (0.36) MAPK1PRKCICRHR1
SCHEMBL21823045 0.76 MAPK1 (0.63) MAPK1NPC1PKMALDH1A1KDM4E
SCHEMBL1520514 0.72 MAPK1 (1.00) MAPK1NPC1PKMALDH1A1KDM4E
Hydrochloric Acid SCHEMBL7685355 0.72 GAA (0.35) MAPK1NPC1ALDH1A1KDM4ELMNA

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 MAPK1 1135/4885NPC1 929/4885PKM 476/4885

“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.