SCHEMBL13431822

SCHEMBL13431822

O=C(NCCCNc1nc(Nc2cccnc2)ncc1C1CC1)C1CCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 20/20 1.00
PDPK1 O15530 1/20 0.76
MARK3 P27448 4/20 0.70
IKBKE Q14164 3/20 0.70
CDK2 P24941 2/20 0.70
BRSK2 Q8IWQ3 2/20 0.70
AURKB Q96GD4 2/20 0.70
MKNK1 Q9BUB5 2/20 0.70
MARK4 Q96L34 2/20 0.70
STK17A Q9UEE5 2/20 0.70
NUAK1 O60285 1/20 0.66
ULK1 O75385 1/20 0.66
PRKAA2 P54646 1/20 0.66
SIK1 P57059 1/20 0.66
PRKAA1 Q13131 1/20 0.66
MELK Q14680 1/20 0.66
PDK1 Q15118 1/20 0.66
MARK2 Q7KZI7 1/20 0.66
ULK2 Q8IYT8 1/20 0.66
NUAK2 Q9H093 1/20 0.66

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
SCHEMBL13431824 0.98 TBK1 (0.96) TBK1PDPK1MARK3IKBKECDK2
SCHEMBL13431872 0.91 TBK1 (0.82) TBK1PDPK1MARK3IKBKECDK2
SCHEMBL13431907 0.90 TBK1 (1.00) TBK1PDPK1MARK3IKBKECDK2
SCHEMBL3384531 0.87 TBK1 (0.82) TBK1PDPK1MARK3IKBKECDK2
SCHEMBL13431869 0.87 TBK1 (0.78) TBK1PDPK1MARK3IKBKECDK2
SCHEMBL13431981 0.87 TBK1 (0.77) TBK1PDPK1MARK3IKBKECDK2
SCHEMBL13460110 0.86 TBK1 (0.81) TBK1PDPK1MARK3IKBKECDK2
SCHEMBL13431894 0.86 TBK1 (0.81) TBK1PDPK1MARK3IKBKECDK2
SCHEMBL13431782 0.86 TBK1 (1.00) TBK1PDPK1MARK3IKBKECDK2
SCHEMBL13431848 0.86 TBK1 (0.76) TBK1PDPK1MARK3IKBKECDK2

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 3 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
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 2898/4885PDPK1 2468/4885MARK3 1239/4885

“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.