SCHEMBL6413574

SCHEMBL6413574

NN=C(c1ccc(C(=O)O)cc1)c1nc2nonc2nc1Nc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.40
GSK3A P49840 4/20 0.40
ABCG2 Q9UNQ0 2/20 0.39
ABCC1 P33527 1/20 0.39
EGFR P00533 1/20 0.39
KDR P35968 1/20 0.39
CSNK2A1 P68400 1/20 0.39
PDE4B Q07343 2/20 0.39
PDE4D Q08499 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SIRT5 Q9NXA8 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
CDKN1A P38936 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RHOA P61586 1/20 0.39
AURKA O14965 2/20 0.38
AURKB Q96GD4 1/20 0.38
ATM Q13315 1/20 0.37

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
SCHEMBL6413560 1.00 GSK3B (0.40) GSK3BGSK3AABCG2ABCC1EGFR
SCHEMBL6415954 0.90 RHOA (0.47) ABCG2CSNK2A1MEN1KMT2AMAPT
SCHEMBL6415968 0.90 RHOA (0.47) ABCG2CSNK2A1MEN1KMT2AMAPT
SCHEMBL6418416 0.89 PIM1 (0.40) ABCG2MEN1KMT2ATP53MAPT
SCHEMBL6418422 0.89 PIM1 (0.40) ABCG2MEN1KMT2ATP53MAPT
SCHEMBL6431840 0.88 CSNK2A1 (0.46) GSK3BGSK3ACSNK2A1PDE4DTP53
SCHEMBL6431857 0.88 CSNK2A1 (0.46) GSK3BGSK3ACSNK2A1PDE4DTP53
SCHEMBL6419681 0.86 DHODH (0.42) MEN1KMT2ATP53MAPTCDKN1A
SCHEMBL6419692 0.86 DHODH (0.42) MEN1KMT2ATP53MAPTCDKN1A
SCHEMBL6433104 0.83 ALDH1A1 (0.41) CSNK2A1MEN1KMT2AMAPTSMN1; SMN2

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 2 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
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 GSK3B 1583/4885GSK3A 1942/4885ABCG2 252/4885

“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.