SCHEMBL6416068

SCHEMBL6416068

NN=C(c1cccc(C(=O)O)c1)c1nc2nonc2nc1NCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.46
LDHB P07195 1/20 0.46
CSNK2A1 P68400 4/20 0.41
CSNK2A2 P19784 2/20 0.41
CSNK2B P67870 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
ACHE P22303 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
GAA P10253 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HIF1A Q16665 1/20 0.38
HAO1 Q9UJM8 1/20 0.36
APP P05067 1/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
MITF O75030 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL6416054 1.00 LDHA (0.46) LDHALDHBCSNK2A1CSNK2A2CSNK2B
SCHEMBL6433087 0.91 ALDH1A1 (0.41) LDHALDHBCSNK2A1CSNK2A2CSNK2B
SCHEMBL6433104 0.91 ALDH1A1 (0.41) LDHALDHBCSNK2A1CSNK2A2CSNK2B
SCHEMBL6418374 0.89 EGFR (0.40) LDHALDHBACHECYP1A2CYP3A4
SCHEMBL6418383 0.89 EGFR (0.40) LDHALDHBACHECYP1A2CYP3A4
SCHEMBL6435177 0.87 LDHA (0.47) LDHALDHBCSNK2A1CSNK2A2CSNK2B
SCHEMBL6415968 0.84 RHOA (0.47) CSNK2A1CSNK2A2CSNK2BRAB9ANPC1
SCHEMBL6415954 0.84 RHOA (0.47) CSNK2A1CSNK2A2CSNK2BRAB9ANPC1
SCHEMBL6413651 0.84 KDM5B (0.42) ACHECYP1A2CYP3A4GAACYP2C9
SCHEMBL6413677 0.84 KDM5B (0.42) ACHECYP1A2CYP3A4GAACYP2C9

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-20050143382-A1 Heterocyclic compounds as pharmaceutically active compounds 4SC AG (DE) 2005-06-30 US disclosed
WO-2005044270-A1 OXADIAZOLOPYRAZINE DERIVATIVES AS PHARMACEUTICALLY ACTIVE COMPOUNDS 4SC AG (DE) 2005-05-19 WO disclosed
EP-1529531-A1 Oxadiazolopyrazine derivatives as pharmaceutically active compounds 4SC AG (DE) 2005-05-11 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-20050143382-A1 Heterocyclic compounds as pharmaceutically active compounds NR5A2, NR1H2, NR2C2 LDHA 3775/4885LDHB 4014/4885CSNK2A1 953/4885

“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.