SCHEMBL4297528

SCHEMBL4297528

CCc1n[nH]cc1-c1ccc2nc(NC(=O)c3ccc(C(=O)O)cc3)sc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.44
KDM4E B2RXH2 4/20 0.41
HPGD P15428 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
PPARG P37231 1/20 0.41
PTK2B Q14289 1/20 0.41
NCOA2 Q15596 1/20 0.41
NCOA1 Q15788 1/20 0.41
NR2E3 Q9Y5X4 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.39
SCD O00767 9/20 0.39
MEN1 O00255 4/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
KMT2A Q03164 4/20 0.39

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
SCHEMBL2743333 0.91 ABL1 (0.46) ABL1KDM4EHPGDNPSR1PPARG
SCHEMBL2743880 0.78 MAP3K5 (0.44) ABL1KDM4EHPGDNPSR1PPARG
SCHEMBL2744135 0.78 MEN1 (0.48) ABL1KDM4EHPGDNPSR1PPARG
SCHEMBL2743498 0.77 MAP3K5 (0.41) ABL1KDM4EHPGDNPSR1PPARG
SCHEMBL2744249 0.76 MAP3K5 (0.42) ABL1KDM4EHPGDNPSR1PPARG
SCHEMBL2743706 0.74 ABL1 (0.40) ABL1KDM4EHPGDNPSR1PPARG
SCHEMBL2744238 0.69 SCD (0.42) KDM4EHPGDNPSR1PPARGPTK2B
SCHEMBL2743617 0.69 MAP3K5 (0.44) KDM4EHPGDNPSR1PPARGPTK2B
SCHEMBL2743815 0.68 MAP3K5 (0.52) KDM4EHPGDNPSR1PPARGPTK2B
SCHEMBL2743799 0.67 MAP3K5 (0.45) KDM4EHPGDNPSR1PPARGPTK2B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090318425-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-12-24 US 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-20090318425-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS BAX, BCL2, BAD ABL1 675/4885KDM4E 2251/4885HPGD 2479/4885

“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.