SCHEMBL4294478

SCHEMBL4294478

CC(=O)Nc1cccc(-c2ccc3c(C(=O)O)cc4cc[nH]c(=O)c4c3c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
MAPK10 P53779 1/20 0.48
HSD17B1 P14061 2/20 0.48
HSD17B2 P37059 2/20 0.48
CHEK1 O14757 3/20 0.47
DHODH Q02127 1/20 0.46
JAK3 P52333 1/20 0.44
MELK Q14680 1/20 0.44
PIK3C3 Q8NEB9 1/20 0.42
MAP4K4 O95819 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
APAF1 O14727 1/20 0.41
TDP2 O95551 1/20 0.41
NPC1 O15118 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL4291940 0.90 CHEK1 (0.61) KMT2AMEN1MAPK10HSD17B1HSD17B2
SCHEMBL13662659 0.87 HSD17B1 (0.50) KMT2AMEN1MAPK10HSD17B1HSD17B2
SCHEMBL4288965 0.84 CHEK1 (0.50) CHEK1DHODHNPC1KDM4E
SCHEMBL4297118 0.80 ACMSD (0.49) CHEK1DHODHFGFR1
SCHEMBL4291923 0.80 CHEK1 (0.50) CHEK1POLB
SCHEMBL4297039 0.78 DHODH (0.48) CHEK1DHODHKDM4E
SCHEMBL4289731 0.77 CHEK1 (0.64) CHEK1
SCHEMBL4300340 0.77 CHEK1 (0.69) CHEK1DHODH
SCHEMBL5015713 0.76 CHEK1 (0.58) MAPK10CHEK1MAP4K4FYN
SCHEMBL4295657 0.76 CHEK1 (0.52) CHEK1

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-20090258852-A1 Inhibitors of Checkpoint Kinases MERCK SHARP & DOHME CORP. 2009-10-15 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-20090258852-A1 Inhibitors of Checkpoint Kinases CHEK1, CHEK2, CDKN1A KMT2A 348/4885MEN1 1110/4885MAPK10 1069/4885

“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.