SCHEMBL15092552

SCHEMBL15092552

CCCNC[C@H](C)c1ccc(-c2c(O)cc(C)c3[nH]c(=O)c4sccc4c23)cc1

nearest known ligand 0.80

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NEK1 Q96PY6 19/20 0.80
PBK Q96KB5 4/20 0.74
CCNK O75909 1/20 0.74
CDK12 Q9NYV4 1/20 0.74

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
SCHEMBL15092468 0.90 NEK1 (0.82) NEK1PBKCCNKCDK12
SCHEMBL16858751 0.90 NEK1 (0.74) NEK1PBKCCNKCDK12
SCHEMBL2554475 0.89 NEK1 (1.00) NEK1PBKCCNKCDK12
SCHEMBL2552202 0.89 NEK1 (1.00) NEK1PBKCCNKCDK12
SCHEMBL2552201 0.89 NEK1 (1.00) NEK1PBKCCNKCDK12
Hydrochloric Acid SCHEMBL2579904 0.88 NEK1 (0.98) NEK1PBKCCNKCDK12
Hydrochloric Acid SCHEMBL2551006 0.88 NEK1 (0.98) NEK1PBKCCNKCDK12
Bromide SCHEMBL2553116 0.88 NEK1 (0.98) NEK1PBKCCNKCDK12
Hydrochloric Acid SCHEMBL2551010 0.88 NEK1 (0.98) NEK1PBKCCNKCDK12
Bromide SCHEMBL2553113 0.88 NEK1 (0.98) NEK1PBKCCNKCDK12

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-8962648-B2 Tricyclic compounds and PBK inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2015-02-24 US disclosed
US-20130178459-A1 TRICYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2013-07-11 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-20130178459-A1 TRICYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME PBDC1, SBK1, PLK2 NEK1 62/4885PBK 10/4885CCNK 152/4885

“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.