SCHEMBL4297137

SCHEMBL4297137

COC(=O)c1cc2cc[nH]c(=O)c2c2cc(-c3ccc(C(=O)N4CCOCC4)cc3)ccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 4/20 0.56
JAK2 O60674 5/20 0.45
MEN1 O00255 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
TAF1 P21675 2/20 0.44
ERN1 O75460 1/20 0.43
PLK4 O00444 1/20 0.43
MAP4K4 O95819 1/20 0.43
ROS1 P08922 1/20 0.43
FGFR1 P11362 1/20 0.43
FLT1 P17948 1/20 0.43
MARK3 P27448 1/20 0.43
FLT4 P35916 1/20 0.43
KDR P35968 1/20 0.43
FLT3 P36888 1/20 0.43
CLK2 P49760 1/20 0.43
CSNK1G2 P78368 1/20 0.43
MAP4K2 Q12851 1/20 0.43
ROCK1 Q13464 1/20 0.43

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
SCHEMBL4289505 0.90 CHEK1 (0.57) CHEK1JAK2TAF1HPGDGHSR
SCHEMBL4290168 0.89 CHEK1 (0.49) CHEK1JAK2MEN1RAB9AKMT2A
SCHEMBL4294428 0.81 CHEK1 (0.65) CHEK1
SCHEMBL4299052 0.81 CHEK1 (0.53) CHEK1JAK2ERN1
SCHEMBL4295703 0.81 CHEK1 (0.71) CHEK1
SCHEMBL4298955 0.80 CHEK1 (0.59) CHEK1MEN1KMT2AFGFR1KDR
SCHEMBL4300340 0.80 CHEK1 (0.69) CHEK1
SCHEMBL4294388 0.79 POLB (0.48) CHEK1JAK2TAF1GHSRBTK
SCHEMBL4292128 0.78 CHEK1 (0.67) CHEK1AURKB
SCHEMBL4296990 0.78 CHEK1 (0.65) 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 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 1/4885JAK2 1085/4885MEN1 1110/4885

“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.