SCHEMBL7685320

SCHEMBL7685320

C=CCNc1nc(NC(=O)N2CCCC2)c2scc(C)c2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.40
MAPK1 P28482 3/20 0.40
ADORA2B P29275 2/20 0.40
ADORA1 P30542 2/20 0.39
ADORA3 P0DMS8 1/20 0.39
POLB P06746 3/20 0.38
TGM2 P21980 1/20 0.37
GBA1 P04062 1/20 0.36
NPC1 O15118 5/20 0.36
RAB9A P51151 5/20 0.36
MAPT P10636 4/20 0.36
NOD2 Q9HC29 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 2/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34

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
SCHEMBL7681529 0.81 GAA (0.40) ADORA2AADORA2BADORA1ADORA3NPC1
SCHEMBL7685775 0.81 KDM4E (0.36) ADORA2BADORA1ADORA3RAB9AMAPT
SCHEMBL7681267 0.81 SMN1; SMN2 (0.38) ADORA2AADORA2BADORA1ADORA3POLB
SCHEMBL7687480 0.79 PRKCI (0.42) MAPK1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL7687755 0.79 EPHX1 (0.41) ADORA2AMAPK1ADORA3NPC1RAB9A
SCHEMBL7681225 0.79 KDM4E (0.35) RAB9AMAPTSMN1; SMN2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL7685761 0.78 MAPT (0.34) RAB9AMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL7681384 0.78 PI4KB (0.36) RAB9AMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL7686103 0.76 LCK (0.36) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL7685186 0.76 PRKCI (0.40) ADORA2AADORA2BADORA1ADORA3

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 ADORA2A 291/4885MAPK1 1135/4885ADORA2B 111/4885

“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.