SCHEMBL4294388

SCHEMBL4294388

CN1CCN(C(=O)c2ccc(-c3ccc4c(C(=O)O)cc5cc[nH]c(=O)c5c4c3)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
MAP3K11 Q16584 1/20 0.47
GHSR Q92847 3/20 0.47
BRD4 O60885 1/20 0.46
FASN P49327 1/20 0.42
JAK2 O60674 3/20 0.42
CHEK1 O14757 3/20 0.42
ALK Q9UM73 1/20 0.42
BTK Q06187 4/20 0.42
CYP2C9 P11712 1/20 0.41
TAF1 P21675 1/20 0.41
TNKS O95271 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
SCHEMBL4289505 0.90 CHEK1 (0.57) POLBMAP3K11GHSRBRD4FASN
SCHEMBL4290168 0.88 CHEK1 (0.49) GHSRBRD4JAK2CHEK1TAF1
SCHEMBL13662731 0.85 MAP3K11 (0.47) POLBMAP3K11GHSRBRD4FASN
SCHEMBL4295657 0.80 CHEK1 (0.52) CHEK1
SCHEMBL4288965 0.80 CHEK1 (0.50) CHEK1
SCHEMBL4291923 0.80 CHEK1 (0.50) POLBCHEK1
SCHEMBL4297137 0.79 CHEK1 (0.56) GHSRBRD4JAK2CHEK1BTK
SCHEMBL4298796 0.77 PIM1 (0.44) CHEK1
SCHEMBL4295756 0.76 CHEK1 (0.51) CHEK1
SCHEMBL4289731 0.75 CHEK1 (0.64) CHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 POLB 841/4885MAP3K11 185/4885GHSR 4208/4885

“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.