SCHEMBL4287142

SCHEMBL4287142

O=C(O)c1cc2cc[nH]c(=O)c2c2cc3c(cc12)OCO3

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 13/20 0.44
TP53 P04637 2/20 0.43
DHODH Q02127 1/20 0.43
CYP1A2 P05177 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
MC4R P32245 1/20 0.40
PPARG P37231 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
ALDH1A1 P00352 2/20 0.38
CYP2D6 P10635 1/20 0.38
HPGD P15428 1/20 0.38
APEX1 P27695 1/20 0.38

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
SCHEMBL4287426 0.94 TP53 (0.45) CHEK1TP53DHODHCYP1A2SMN1; SMN2
SCHEMBL4287238 0.81 CHEK1 (0.48) CHEK1TP53CYP1A2HIF1AKMT2A
SCHEMBL4295221 0.81 CHEK1 (0.46) CHEK1KDM4E
SCHEMBL5025815 0.77 KDM4E (0.51) CHEK1SMN1; SMN2KMT2AKDM4EMEN1
SCHEMBL4296227 0.77 CHEK1 (0.54) CHEK1KDM4EPOLBGAAALDH1A1
SCHEMBL4302533 0.76 CHEK1 (0.73) CHEK1DHODHKMT2AMEN1RXFP1
SCHEMBL4296686 0.76 CHEK1 (0.73) CHEK1TP53CYP1A2HIF1AKDM4E
SCHEMBL4292052 0.76 CHEK1 (0.65) CHEK1TP53CYP1A2SMN1; SMN2HIF1A
SCHEMBL4290127 0.74 CHEK1 (0.48) CHEK1POLB
SCHEMBL4291923 0.74 CHEK1 (0.50) CHEK1POLB

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 5 patents. 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 claimed
US-20090258852-A1 Inhibitors of Checkpoint Kinases MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
US-20090258852-A1 Inhibitors of Checkpoint Kinases MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
US-20090258852-A1 Inhibitors of Checkpoint Kinases MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
WO-2007008502-A2 INHIBITORS OF CHECKPOINT KINASES MERCK & CO., INC. (US) 2007-01-18 WO 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 CHEK1 1/4885TP53 71/4885DHODH 1399/4885

“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.