SCHEMBL3382453

SCHEMBL3382453

NC(=O)CCNc1nc(Nc2ccc(CCO)cc2)ncc1C1CC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 13/20 0.52
STAT6 P42226 2/20 0.52
CDK2 P24941 2/20 0.47
MARK3 P27448 2/20 0.47
IKBKE Q14164 2/20 0.47
BRSK2 Q8IWQ3 2/20 0.47
AURKB Q96GD4 2/20 0.47
MKNK1 Q9BUB5 2/20 0.47
SYK P43405 2/20 0.47
ULK1 O75385 3/20 0.45
ULK2 Q8IYT8 3/20 0.45
PDPK1 O15530 1/20 0.45

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
SCHEMBL3386215 0.89 TBK1 (0.58) TBK1CDK2MARK3IKBKEBRSK2
SCHEMBL3385913 0.87 TBK1 (0.51) TBK1CDK2MARK3IKBKEBRSK2
SCHEMBL3385954 0.87 TBK1 (0.53) TBK1CDK2MARK3IKBKEBRSK2
SCHEMBL3389484 0.86 TBK1 (0.55) TBK1CDK2MARK3IKBKEBRSK2
SCHEMBL3382459 0.86 STK17A (0.54) TBK1CDK2MARK3IKBKEBRSK2
SCHEMBL3388973 0.85 TBK1 (0.54) TBK1CDK2MARK3IKBKEBRSK2
SCHEMBL3387756 0.85 SYK (0.53) TBK1CDK2MARK3IKBKEBRSK2
SCHEMBL3384159 0.84 TBK1 (0.53) TBK1CDK2MARK3IKBKEBRSK2
SCHEMBL3384263 0.84 TBK1 (0.51) TBK1CDK2MARK3IKBKEBRSK2
SCHEMBL3388278 0.84 TBK1 (0.50) TBK1CDK2MARK3IKBKEBRSK2

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-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

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 TBK1 2898/4885STAT6 508/4885CDK2 393/4885

“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.