SCHEMBL4300737

SCHEMBL4300737

O=c1[nH]ccc2cc(CCNCc3ccc(F)cc3)c3ccc(-c4ccc(CN5CCOCC5)cc4)cc3c12

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 13/20 0.72
MCHR1 Q99705 2/20 0.46
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ATM Q13315 1/20 0.39
HTR2C P28335 1/20 0.38
GRM2 Q14416 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
JAK2 O60674 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL4287707 0.85 CHEK1 (0.72) CHEK1NPC1RAB9AATMGRM2
SCHEMBL4292566 0.85 CHEK1 (0.71) CHEK1NPC1RAB9AATMJAK2
SCHEMBL13659635 0.84 CHEK1 (0.84) CHEK1NPC1RAB9AATMJAK2
SCHEMBL5017145 0.84 CHEK1 (0.83) CHEK1NPC1RAB9AATMJAK2
SCHEMBL4293965 0.84 CHEK1 (1.00) CHEK1NPC1RAB9AATMJAK2
SCHEMBL4292384 0.83 CHEK1 (0.82) CHEK1NPC1RAB9AATMJAK2
SCHEMBL5017722 0.82 CHEK1 (0.80) CHEK1NPC1RAB9AATMJAK2
SCHEMBL4287873 0.82 CHEK1 (0.79) CHEK1NPC1RAB9AATMJAK2
SCHEMBL4287654 0.82 CHEK1 (0.79) CHEK1NPC1RAB9AATMJAK2
SCHEMBL4289999 0.81 CHEK1 (0.75) CHEK1NPC1RAB9AATMJAK2

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 9 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
EP-1904449-A2 INHIBITORS OF CHECKPOINT KINASES Merck & Co., Inc. (US) 2008-04-02 EP claimed
WO-2007008502-A2 INHIBITORS OF CHECKPOINT KINASES MERCK & CO., INC. (US) 2007-01-18 WO 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
EP-1904449-A2 INHIBITORS OF CHECKPOINT KINASES Merck & Co., Inc. (US) 2008-04-02 EP disclosed
WO-2007008502-A2 INHIBITORS OF CHECKPOINT KINASES MERCK & CO., INC. (US) 2007-01-18 WO 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 1/4885MCHR1 4507/4885NPC1 3961/4885

“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.