SCHEMBL15440530

SCHEMBL15440530

Cc1nccnc1NC1CCCNC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.55
CHEK1 O14757 3/20 0.46
ATAD2 Q6PL18 2/20 0.45
PRKCI P41743 2/20 0.44
IL1B P01584 1/20 0.42
PRKCZ Q05513 1/20 0.42
RPS6KB1 P23443 3/20 0.42
AURKA O14965 2/20 0.42
MAPKAPK2 P49137 4/20 0.41
CHEK2 O96017 1/20 0.41
CDK2 P24941 1/20 0.41
PDPK1 O15530 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
CDC42BPB Q9Y5S2 1/20 0.40
PIM1 P11309 1/20 0.40
PIM2 Q9P1W9 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
SCHEMBL15308511 0.77 LRRK2 (0.47) BRD4ATAD2IRAK4
SCHEMBL30698332 0.76 BRD4 (0.50) BRD4CHEK1PRKCIPRKCZRPS6KB1
SCHEMBL31227391 0.74 BRD4 (0.60) BRD4ATAD2PRKCIPRKCZRPS6KB1
SCHEMBL31227704 0.74 BRD4 (0.54) BRD4CHEK1ATAD2PRKCIIRAK4
SCHEMBL31227547 0.74 RPS6KB1 (0.49) BRD4CHEK1PRKCZRPS6KB1AURKA
SCHEMBL30259588 0.73 KDM4E (0.61) BRD4PRKCZCDK2ROCK2ROCK1
SCHEMBL27877307 0.73 CHEK1 (0.55) BRD4CHEK1ATAD2PRKCIPRKCZ
SCHEMBL31227336 0.73 BRD4 (0.61) BRD4CHEK1ATAD2PRKCIIL1B
SCHEMBL15219316 0.73 BRD4 (0.53) BRD4ATAD2IL1BPRKCZIRAK4
SCHEMBL15440732 0.72 PRKCZ (0.51) PRKCIPRKCZCDK2IRAK4ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9090593-B2 Bicyclic compounds as Pim inhibitors AMGEN INC. (US) 2015-07-28 US disclosed
US-20140031360-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2014-01-30 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-20140031360-A1 BICYCLIC COMPOUNDS AS PIM INHIBITORS PIM1, PIM2, PIM3 BRD4 138/4885CHEK1 1068/4885ATAD2 3441/4885

“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.