SCHEMBL5128587

SCHEMBL5128587

Cc1[nH]nc2c1c(=O)n(CCCN)c1cc3c(cc21)CC(N)C3

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 16/20 0.66
KCNH2 Q12809 2/20 0.66
AURKA O14965 1/20 0.42
KDR P35968 1/20 0.42
AURKB Q96GD4 1/20 0.42
HASPIN Q8TF76 1/20 0.33
PLK1 P53350 1/20 0.33
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 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
SCHEMBL5130032 0.87 CHEK1 (0.68) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL5132330 0.87 CHEK1 (0.68) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL5131733 0.86 CHEK1 (0.62) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL5131483 0.86 CHEK1 (0.61) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL5127207 0.85 CHEK1 (0.63) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL5122326 0.83 CHEK1 (0.60) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL5122980 0.82 CHEK1 (0.59) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL5126566 0.81 CHEK1 (0.66) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL4004208 0.81 CHEK1 (0.71) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL5131838 0.80 CHEK1 (0.67) CHEK1KCNH2AURKAKDRAURKB

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 3426/4885AURKA 7/4885

“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.