SCHEMBL3385918

SCHEMBL3385918

NCCCNc1nc(Nc2ccc(CCN3CCCC3)cc2)ncc1C1CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 7/20 0.51
STK17A Q9UEE5 9/20 0.50
STK17B O94768 4/20 0.49
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
IGF1R P08069 2/20 0.49
ULK1 O75385 3/20 0.48
ULK2 Q8IYT8 3/20 0.48
MARK4 Q96L34 1/20 0.47

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
SCHEMBL3385913 0.86 TBK1 (0.51) TBK1STK17AMARK3CDK2IKBKE
SCHEMBL3382459 0.85 STK17A (0.54) TBK1STK17ASTK17BMARK3CDK2
SCHEMBL13431957 0.84 TBK1 (0.73) TBK1STK17AMARK3CDK2IKBKE
SCHEMBL3386220 0.83 TBK1 (0.58) TBK1STK17ASTK17B
SCHEMBL3384330 0.82 TBK1 (0.73) TBK1STK17ASTK17BMARK3CDK2
SCHEMBL3389149 0.81 TBK1 (0.64) TBK1MARK3CDK2IKBKEBRSK2
SCHEMBL3387297 0.81 TBK1 (0.65) TBK1STK17AMARK3IKBKEULK1
SCHEMBL3388304 0.81 TBK1 (0.63) TBK1STK17ASTK17BMARK3CDK2
SCHEMBL3385833 0.81 TBK1 (0.71) TBK1STK17ASTK17BMARK3CDK2
SCHEMBL3389139 0.81 TBK1 (0.64) TBK1STK17AMARK3IKBKEULK1

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 2898/4885STK17A 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.