SCHEMBL9004816

SCHEMBL9004816

CCOC(=O)c1ccc(Nc2nc(S(C)(=O)=O)nn3ccnc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.52
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 5/20 0.47
HSD17B10 Q99714 3/20 0.47
HPGD P15428 6/20 0.46
RECQL P46063 1/20 0.46
RAB9A P51151 5/20 0.46
MAPT P10636 3/20 0.46
NPC1 O15118 3/20 0.46
NFKB1 P19838 1/20 0.46
MAPK1 P28482 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
THRB P10828 1/20 0.46
SLC2A1 P11166 1/20 0.46
ALK Q9UM73 1/20 0.45
EGFR P00533 1/20 0.44
KDR P35968 1/20 0.44

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
SCHEMBL9004786 0.84 MAPT (0.50) TP53KDM4EALDH1A1HSD17B10HPGD
SCHEMBL1066624 0.75 KDM4E (0.48) TP53KDM4EALDH1A1HSD17B10HPGD
SCHEMBL3314043 0.74 HPGD (0.49) KDM4EALDH1A1HSD17B10HPGDRECQL
SCHEMBL5457569 0.70 HPGD (0.66) KDM4EALDH1A1HPGDRECQLRAB9A
SCHEMBL28916259 0.69 ALDH1A1 (0.52) TP53KDM4EALDH1A1HSD17B10HPGD
SCHEMBL2218706 0.69 AURKA (0.68)
SCHEMBL12124929 0.69 RAB9A (0.69) TP53KDM4EALDH1A1HPGDRECQL
SCHEMBL16554085 0.68 RAB9A (0.55) TP53KDM4EHSD17B10RAB9AMAPT
SCHEMBL12253193 0.68 MEN1 (0.83) TP53KDM4EALDH1A1HSD17B10HPGD
SCHEMBL19290238 0.67 MAPT (0.48) KDM4EALDH1A1HSD17B10HPGDRAB9A

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-8188272-B2 Fused heterocyclic compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2012-05-29 US disclosed
US-20100105676-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2010-04-29 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-20100105676-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BTK, LYN, ABL1 TP53 1037/4885KDM4E 774/4885ALDH1A1 4220/4885

“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.