SCHEMBL3388649

SCHEMBL3388649

CN(CCC(N)=O)c1nc(Nc2cccc(F)c2)ncc1C1CC1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 8/20 0.51
PDPK1 O15530 3/20 0.51
CDC7 O00311 1/20 0.41
CDK19 Q9BWU1 1/20 0.41
CCNT1 O60563 2/20 0.41
CDK9 P50750 2/20 0.41
CNR2 P34972 2/20 0.41
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
CCND2 P30279 1/20 0.41
CCND3 P30281 1/20 0.41
NTRK1 P04629 1/20 0.41
GRM5 P41594 1/20 0.40
EGFR P00533 1/20 0.40
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39

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
SCHEMBL3388652 0.85 TBK1 (0.49) TBK1PDPK1CDC7CDK19CCNT1
SCHEMBL13431858 0.82 TBK1 (0.72) TBK1PDPK1CDK2
SCHEMBL3383879 0.81 TBK1 (0.69) TBK1PDPK1NTRK1
SCHEMBL3387818 0.80 TBK1 (0.73) TBK1PDPK1
Trifluoroacetic Acid SCHEMBL3388234 0.76 TBK1 (0.63) TBK1PDPK1NTRK1
SCHEMBL3389097 0.74 CNR2 (0.34) CNR2
SCHEMBL13431859 0.72 TBK1 (0.73) TBK1PDPK1CDK2
SCHEMBL13460229 0.72 TBK1 (0.64) TBK1PDPK1
SCHEMBL13431760 0.71 TBK1 (0.73) TBK1PDPK1
SCHEMBL13431757 0.71 TBK1 (0.79) TBK1PDPK1

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 2898/4885PDPK1 2468/4885CDC7 459/4885

“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.