SCHEMBL4297039

SCHEMBL4297039

O=C(O)c1cc2cc[nH]c(=O)c2c2cc(-c3cccnc3)ccc12

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.48
KMO O15229 1/20 0.46
CHEK1 O14757 6/20 0.45
NR4A2 P43354 1/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
PIM1 P11309 1/20 0.42
PIM2 Q9P1W9 1/20 0.42
MKNK1 Q9BUB5 2/20 0.42
MKNK2 Q9HBH9 2/20 0.42
AURKA O14965 1/20 0.41
TTK P33981 1/20 0.41
AURKB Q96GD4 1/20 0.41
INCENP Q9NQS7 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
SCHEMBL4289781 0.87 CHEK1 (0.62) CHEK1NR4A2PRMT5WDR77MKNK1
SCHEMBL4288965 0.87 CHEK1 (0.50) DHODHCHEK1KDM4E
SCHEMBL4291923 0.82 CHEK1 (0.50) CHEK1
SCHEMBL13662600 0.81 ERN1 (0.47) CHEK1PRMT5WDR77PIM1AURKA
SCHEMBL4297118 0.80 ACMSD (0.49) DHODHCHEK1
SCHEMBL4295657 0.78 CHEK1 (0.52) CHEK1MKNK1MKNK2
SCHEMBL4295756 0.78 CHEK1 (0.51) CHEK1
SCHEMBL4294478 0.78 KMT2A (0.48) DHODHCHEK1KDM4E
SCHEMBL4289731 0.77 CHEK1 (0.64) CHEK1
SCHEMBL4294140 0.77 CHEK1 (0.46) CHEK1NR4A2

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 DHODH 1399/4885KMO 2716/4885CHEK1 1/4885

“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.