SCHEMBL3387315

SCHEMBL3387315

CC(C)(C)OC(=O)NCCCNc1nc(Cl)ncc1C1CC1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
STK17A Q9UEE5 2/20 0.72
STK17B O94768 1/20 0.72
TBK1 Q9UHD2 15/20 0.46
IKBKE Q14164 3/20 0.46
CDK2 P24941 2/20 0.46
MARK3 P27448 2/20 0.46
BRSK2 Q8IWQ3 2/20 0.46
AURKB Q96GD4 2/20 0.46
MKNK1 Q9BUB5 2/20 0.46
PDPK1 O15530 1/20 0.42
LRRK2 Q5S007 1/20 0.42
ULK3 Q6PHR2 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
BRD4 O60885 2/20 0.42
TTK P33981 1/20 0.42
ULK1 O75385 1/20 0.41
ULK2 Q8IYT8 1/20 0.41

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
SCHEMBL20154729 0.84 STK17B (1.00) STK17ASTK17BBRD4
SCHEMBL13432016 0.84 STK17B (0.55) STK17ASTK17B
SCHEMBL3389412 0.82 STK17A (0.49) STK17ASTK17BTBK1IKBKECDK2
SCHEMBL23409124 0.82 STK17B (0.79) STK17ASTK17BBRD4
SCHEMBL3868126 0.82 STK17B (0.79) STK17ASTK17BBRD4
SCHEMBL13518095 0.81 STK17B (0.77) STK17ASTK17BBRD4
SCHEMBL13431995 0.80 TBK1 (0.65) STK17ATBK1IKBKECDK2MARK3
SCHEMBL13432001 0.80 TBK1 (0.68) STK17ATBK1IKBKECDK2MARK3
SCHEMBL24070647 0.80 STK17B (0.75) STK17ASTK17BBRD4
SCHEMBL29802555 0.79 STK17A (0.72) STK17ASTK17BBRD4

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
US-20100056524-A1 Compound MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-03-04 US disclosed
US-20100056524-A1 Compound MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-03-04 US disclosed
US-20100056524-A1 Compound MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-03-04 US disclosed
WO-2009122180-A1 PYRIMIDINE DERIVATIVES CAPABLE OF INHIBITING ONE OR MORE KINASES MEDICAL RESEARCH COUNCIL (GB) 2009-10-08 WO disclosed
WO-2009122180-A1 PYRIMIDINE DERIVATIVES CAPABLE OF INHIBITING ONE OR MORE KINASES MEDICAL RESEARCH COUNCIL (GB) 2009-10-08 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-20100056524-A1 Compound NR3C2, NR3C1, NR2E3 STK17A 381/4885STK17B 595/4885TBK1 2898/4885

“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.