SCHEMBL4004208

SCHEMBL4004208

Cc1[nH]nc2c1c(=O)n(CCCN)c1cc3ccccc3cc21

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 15/20 0.71
KCNH2 Q12809 2/20 0.65
AURKA O14965 1/20 0.51
KDR P35968 1/20 0.51
AURKB Q96GD4 1/20 0.51
HASPIN Q8TF76 1/20 0.38
PLK1 P53350 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
GLA P06280 1/20 0.37
HPGD P15428 1/20 0.37
APEX1 P27695 1/20 0.37
SYK P43405 1/20 0.37
RECQL P46063 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL6507581 0.87 CHEK1 (0.72) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6510579 0.85 CHEK1 (0.80) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6512695 0.84 CHEK1 (0.78) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6518285 0.83 CHEK1 (0.67) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6508884 0.83 CHEK1 (0.77) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6515391 0.83 CHEK1 (0.77) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6517703 0.83 CHEK1 (1.00) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6517619 0.83 CHEK1 (0.77) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6514092 0.83 CHEK1 (0.67) CHEK1KCNH2AURKAKDRAURKB
SCHEMBL6518189 0.83 CHEK1 (0.77) 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-7485649-B2 Inhibitors of checkpoint kinases MERCK & CO., INC. (US) 2009-02-03 US claimed
US-20080214594-A1 Inhibitors Of Checkpoint Kinases MERCK SHARP & DOHME CORP. 2008-09-04 US claimed
US-7485649-B2 Inhibitors of checkpoint kinases MERCK & CO., INC. (US) 2009-02-03 US disclosed
US-7485649-B2 Inhibitors of checkpoint kinases MERCK & CO., INC. (US) 2009-02-03 US disclosed
US-7485649-B2 Inhibitors of checkpoint kinases MERCK & CO., INC. (US) 2009-02-03 US disclosed
US-20080214594-A1 Inhibitors Of Checkpoint Kinases MERCK SHARP & DOHME CORP. 2008-09-04 US disclosed
US-20080214594-A1 Inhibitors Of Checkpoint Kinases MERCK SHARP & DOHME CORP. 2008-09-04 US disclosed
US-20080214594-A1 Inhibitors Of Checkpoint Kinases MERCK SHARP & DOHME CORP. 2008-09-04 US 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-20080214594-A1 Inhibitors Of Checkpoint Kinases CHEK1, CHEK2, BUB1B CHEK1 1/4885KCNH2 2921/4885AURKA 8/4885

“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.