SCHEMBL3389607

SCHEMBL3389607

Cn1ncc2cc(Nc3ncc(C4CC4)c(NCCCN)n3)ccc21

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 4/20 0.72
STK17A Q9UEE5 11/20 0.50
SYK P43405 2/20 0.49
ULK1 O75385 3/20 0.49
ULK2 Q8IYT8 3/20 0.49
CDK2 P24941 1/20 0.48
MARK3 P27448 1/20 0.48
IKBKE Q14164 1/20 0.48
BRSK2 Q8IWQ3 1/20 0.48
AURKB Q96GD4 1/20 0.48
MKNK1 Q9BUB5 1/20 0.48
STK17B O94768 4/20 0.48

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
SCHEMBL3383890 0.93 TBK1 (0.63) TBK1STK17AULK1ULK2CDK2
SCHEMBL3389603 0.86 TBK1 (0.71) TBK1STK17ASYKULK1ULK2
SCHEMBL3388707 0.84 TBK1 (0.55) TBK1STK17AULK1ULK2CDK2
SCHEMBL13431890 0.84 TBK1 (1.00) TBK1STK17AULK1ULK2CDK2
SCHEMBL3386164 0.81 STK17A (0.60) TBK1STK17ASTK17B
SCHEMBL3389627 0.81 TBK1 (0.68) TBK1STK17AULK1ULK2CDK2
SCHEMBL3389482 0.81 TBK1 (0.49) TBK1STK17ASYKULK1ULK2
SCHEMBL3385798 0.81 STK17A (0.51) TBK1STK17ASTK17B
SCHEMBL3389036 0.80 TBK1 (0.49) TBK1STK17AULK1ULK2CDK2
SCHEMBL3383885 0.80 TBK1 (0.62) TBK1STK17ASYKULK1ULK2

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 381/4885SYK 627/4885

“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.