SCHEMBL3387281

SCHEMBL3387281

NCCCNc1nc(Nc2ccc(-c3cncnc3)nc2)ncc1C1CC1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 6/20 0.52
STK17A Q9UEE5 13/20 0.47
STK17B O94768 8/20 0.47
CHEK1 O14757 1/20 0.43

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
SCHEMBL3384248 0.90 TBK1 (0.57) TBK1STK17ASTK17B
SCHEMBL3386256 0.90 TBK1 (0.50) TBK1STK17ASTK17BCHEK1
SCHEMBL3389569 0.86 TBK1 (0.66) TBK1STK17ASTK17B
SCHEMBL3387268 0.86 TBK1 (0.52) TBK1CHEK1
SCHEMBL3387920 0.86 STK17A (0.47) TBK1STK17ASTK17BCHEK1
SCHEMBL3388285 0.86 STK17A (0.52) TBK1STK17ASTK17BCHEK1
SCHEMBL3389133 0.85 TBK1 (0.53) TBK1STK17ASTK17B
SCHEMBL3389180 0.84 TBK1 (0.55) TBK1STK17ASTK17B
SCHEMBL3387844 0.84 TBK1 (0.53) TBK1STK17ASTK17B
SCHEMBL13431866 0.83 TBK1 (0.79) TBK1

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 2898/4885STK17A 381/4885STK17B 595/4885

“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.