SCHEMBL3389560

SCHEMBL3389560

NC(=O)CCNc1nc(Nc2ccc(CN3CCC(F)(F)CC3)nc2)ncc1C1CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 13/20 0.60
ULK1 O75385 4/20 0.43
ULK2 Q8IYT8 4/20 0.43
SYK P43405 4/20 0.43
MARK3 P27448 3/20 0.42
IKBKE Q14164 2/20 0.42
CDK2 P24941 1/20 0.42
BRSK2 Q8IWQ3 1/20 0.42
AURKB Q96GD4 1/20 0.42
MKNK1 Q9BUB5 1/20 0.42
MARK4 Q96L34 2/20 0.42
STK17A Q9UEE5 2/20 0.42
NUAK1 O60285 1/20 0.42
PRKAA2 P54646 1/20 0.42
SIK1 P57059 1/20 0.42
PRKAA1 Q13131 1/20 0.42
MELK Q14680 1/20 0.42
PDK1 Q15118 1/20 0.42
MARK2 Q7KZI7 1/20 0.42
NUAK2 Q9H093 1/20 0.42

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
SCHEMBL3382563 0.91 TBK1 (0.59) TBK1ULK1ULK2SYKMARK3
SCHEMBL3384320 0.90 TBK1 (0.72) TBK1ULK1ULK2SYKMARK3
SCHEMBL3384158 0.88 TBK1 (0.61) TBK1ULK1ULK2SYKMARK3
SCHEMBL3386277 0.88 TBK1 (0.61) TBK1ULK1ULK2SYKMARK3
SCHEMBL3389568 0.87 TBK1 (0.60) TBK1ULK1ULK2MARK3IKBKE
SCHEMBL3386034 0.85 ULK1 (0.60) TBK1ULK1ULK2MARK3IKBKE
SCHEMBL13431902 0.84 TBK1 (0.84) TBK1ULK1ULK2MARK3IKBKE
SCHEMBL3384159 0.83 TBK1 (0.53) TBK1ULK1ULK2SYKMARK3
SCHEMBL3387654 0.83 TBK1 (0.56) TBK1ULK1ULK2SYKMARK3
SCHEMBL3389343 0.83 TBK1 (0.56) TBK1ULK1ULK2SYKMARK3

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 2898/4885ULK1 2369/4885ULK2 1695/4885

“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.