SCHEMBL5125899

SCHEMBL5125899

Cc1[nH]nc2c1c(=O)n(CCCO)c1cc3c(cc21)CCCC3

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 12/20 0.55
KCNH2 Q12809 2/20 0.55
KDR P35968 2/20 0.41
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41
PLK1 P53350 1/20 0.34
TSHR P16473 1/20 0.33
PARP1 P09874 1/20 0.33
NOX4 Q9NPH5 1/20 0.31
CSNK2A2 P19784 1/20 0.31
CSNK2B P67870 1/20 0.31
CSNK2A1 P68400 1/20 0.31

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
SCHEMBL5132330 0.89 CHEK1 (0.68) CHEK1KCNH2KDRAURKAAURKB
SCHEMBL5130032 0.87 CHEK1 (0.68) CHEK1KCNH2KDRAURKAAURKB
SCHEMBL5123267 0.86 CHEK1 (0.53) CHEK1KCNH2KDRAURKAAURKB
SCHEMBL5123881 0.86 CHEK1 (0.55) CHEK1KCNH2KDRAURKAAURKB
SCHEMBL5126029 0.85 CHEK1 (0.51) CHEK1KCNH2KDRAURKAAURKB
SCHEMBL5122367 0.84 CHEK1 (0.53) CHEK1KCNH2KDRAURKAAURKB
SCHEMBL5127196 0.83 CHEK1 (0.55) CHEK1KCNH2KDRAURKAAURKB
SCHEMBL5122362 0.83 CHEK1 (0.57) CHEK1KCNH2KDRAURKAAURKB
SCHEMBL5130088 0.81 CHEK1 (0.47) CHEK1KCNH2KDRAURKAAURKB
SCHEMBL5128848 0.81 CHEK1 (0.48) CHEK1KCNH2KDRAURKAAURKB

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080114016-A1 Inhibitors of Checkpoint Kinases MERCK SHARP & DOHME CORP. 2008-05-15 US claimed
EP-1835918-A2 INHIBITORS OF CHECKPOINT KINASES Merck & Co., Inc. (US) 2007-09-26 EP claimed
WO-2006074281-A2 INHIBITORS OF CHECKPOINT KINASES MERCK & CO., INC. (US) 2006-07-13 WO claimed
US-20080114016-A1 Inhibitors of Checkpoint Kinases MERCK SHARP & DOHME CORP. 2008-05-15 US disclosed
US-20080114016-A1 Inhibitors of Checkpoint Kinases MERCK SHARP & DOHME CORP. 2008-05-15 US disclosed
US-20080114016-A1 Inhibitors of Checkpoint Kinases MERCK SHARP & DOHME CORP. 2008-05-15 US disclosed
EP-1835918-A2 INHIBITORS OF CHECKPOINT KINASES Merck & Co., Inc. (US) 2007-09-26 EP disclosed
WO-2006074281-A2 INHIBITORS OF CHECKPOINT KINASES MERCK & CO., INC. (US) 2006-07-13 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-20080114016-A1 Inhibitors of Checkpoint Kinases CHEK1, CHEK2, BUB1B CHEK1 1/4885KCNH2 3426/4885KDR 3263/4885

“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.