SCHEMBL4298955

SCHEMBL4298955

COC(=O)c1cc2cc[nH]c(=O)c2c2cc(-c3ccc(N4CCNCC4)cc3)ccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 6/20 0.59
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PIM1 P11309 4/20 0.41
PIM3 Q86V86 4/20 0.41
PIM2 Q9P1W9 2/20 0.41
FGFR1 P11362 1/20 0.39
FGFR2 P21802 1/20 0.39
KHK P50053 2/20 0.39
IL2 P60568 1/20 0.38
MAP4K1 Q92918 1/20 0.38
KIT P10721 1/20 0.38
KDR P35968 1/20 0.38
FLT3 P36888 1/20 0.38
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
CTSL P07711 2/20 0.36
CTSB P07858 2/20 0.36

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
SCHEMBL4298796 0.88 PIM1 (0.44) CHEK1KDM4EPIM1PIM3PIM2
SCHEMBL4295703 0.83 CHEK1 (0.71) CHEK1
SCHEMBL4300340 0.82 CHEK1 (0.69) CHEK1PIM1PIM3
SCHEMBL4292128 0.81 CHEK1 (0.67) CHEK1
SCHEMBL4297137 0.80 CHEK1 (0.56) CHEK1MEN1KMT2AFGFR1KDR
SCHEMBL4296990 0.80 CHEK1 (0.65) CHEK1
SCHEMBL4294428 0.80 CHEK1 (0.65) CHEK1
SCHEMBL4289505 0.79 CHEK1 (0.57) CHEK1
SCHEMBL4300984 0.79 CHEK1 (0.64) CHEK1
SCHEMBL4297274 0.78 CHEK1 (0.61) CHEK1PIM1PIM2

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 1/4885KDM4E 366/4885MEN1 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.