SCHEMBL3385957

SCHEMBL3385957

NCCCNc1nc(Nc2ccc(N3CCCCC3)nc2)ncc1C1CC1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 11/20 0.62
MARK3 P27448 3/20 0.49
CDK2 P24941 2/20 0.49
IKBKE Q14164 2/20 0.49
BRSK2 Q8IWQ3 2/20 0.49
AURKB Q96GD4 2/20 0.49
MKNK1 Q9BUB5 2/20 0.49
STK17A Q9UEE5 8/20 0.47
STK17B O94768 3/20 0.47
MARK4 Q96L34 1/20 0.46
ULK1 O75385 2/20 0.45
ULK2 Q8IYT8 2/20 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
SCHEMBL3388304 0.99 TBK1 (0.63) TBK1MARK3CDK2IKBKEBRSK2
SCHEMBL3383970 0.91 TBK1 (0.72) TBK1MARK3CDK2IKBKEBRSK2
SCHEMBL3389450 0.91 TBK1 (0.58) TBK1MARK3CDK2IKBKEBRSK2
SCHEMBL3388944 0.90 TBK1 (0.57) TBK1MARK3CDK2IKBKEBRSK2
SCHEMBL3385953 0.86 TBK1 (0.62) TBK1MARK3CDK2IKBKEBRSK2
SCHEMBL3384330 0.85 TBK1 (0.73) TBK1MARK3CDK2IKBKEBRSK2
SCHEMBL3388294 0.85 TBK1 (0.62) TBK1MARK3CDK2IKBKEBRSK2
SCHEMBL13431903 0.84 TBK1 (0.86) TBK1MARK3CDK2IKBKEBRSK2
SCHEMBL13431916 0.83 TBK1 (0.88) TBK1MARK3CDK2IKBKEBRSK2
SCHEMBL3388285 0.83 STK17A (0.52) TBK1STK17ASTK17B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056524-A1 Compound MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-03-04 US 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 2898/4885MARK3 1239/4885CDK2 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.