SCHEMBL4287256

SCHEMBL4287256

O=c1[nH]ccc2cc(CN3CCCCC3)c3ccc(-c4ccc(CN5CCOCC5)cc4)cc3c12

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 11/20 0.78
HRH3 Q9Y5N1 3/20 0.52
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ATM Q13315 1/20 0.45
JAK2 O60674 1/20 0.44
CDK4 P11802 1/20 0.42
CCND1 P24385 1/20 0.42
TNKS O95271 1/20 0.41
HRH4 Q9H3N8 1/20 0.40
MAPKAPK2 P49137 1/20 0.40
PARP1 P09874 1/20 0.40

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
SCHEMBL4287654 0.97 CHEK1 (0.79) CHEK1HRH3NPC1RAB9AATM
SCHEMBL13659635 0.96 CHEK1 (0.84) CHEK1HRH3NPC1RAB9AATM
SCHEMBL4292384 0.95 CHEK1 (0.82) CHEK1HRH3NPC1RAB9AATM
SCHEMBL4289999 0.91 CHEK1 (0.75) CHEK1HRH3NPC1RAB9AATM
SCHEMBL4287873 0.89 CHEK1 (0.79) CHEK1HRH3NPC1RAB9AATM
SCHEMBL4292106 0.89 CHEK1 (0.79) CHEK1NPC1RAB9AATMJAK2
SCHEMBL4294202 0.89 CHEK1 (0.73) CHEK1HRH3NPC1RAB9AATM
SCHEMBL4294020 0.89 CHEK1 (0.73) CHEK1HRH3NPC1RAB9AATM
SCHEMBL4288936 0.89 CHEK1 (0.73) CHEK1HRH3NPC1RAB9AATM
SCHEMBL4293965 0.88 CHEK1 (1.00) CHEK1HRH3NPC1RAB9AATM

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 7 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
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 1/4885HRH3 2310/4885NPC1 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.