SCHEMBL3387443

SCHEMBL3387443

CN1CCN(C(=O)c2cccc(Nc3ncc(C4CC4)c(NCCCN)n3)c2)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 8/20 0.63
CCNT1 O60563 1/20 0.58
CCNE1 P24864 1/20 0.58
CDK2 P24941 1/20 0.58
CDK9 P50750 1/20 0.58
IGF1R P08069 1/20 0.57
MAP3K7 O43318 2/20 0.56
IRAK4 Q9NWZ3 2/20 0.56
NTRK1 P04629 3/20 0.55
ULK1 O75385 6/20 0.53
ULK2 Q8IYT8 6/20 0.53
MARK3 P27448 2/20 0.53
MARK4 Q96L34 2/20 0.53
STK17A Q9UEE5 2/20 0.53
PDPK1 O15530 1/20 0.51
PDK1 Q15118 2/20 0.51
NUAK1 O60285 1/20 0.49
PRKAA2 P54646 1/20 0.49
SIK1 P57059 1/20 0.49
PRKAA1 Q13131 1/20 0.49

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
SCHEMBL3385947 0.93 MAP3K7 (0.63) TBK1CCNT1CCNE1CDK2CDK9
SCHEMBL3387435 0.90 TBK1 (0.59) TBK1CCNT1CCNE1CDK2CDK9
SCHEMBL3388295 0.90 TBK1 (0.59) TBK1CDK2MAP3K7IRAK4NTRK1
SCHEMBL3384813 0.90 MAP3K7 (0.54) TBK1CCNT1CCNE1CDK2CDK9
SCHEMBL3383920 0.90 TBK1 (0.77) TBK1CCNT1CCNE1CDK2CDK9
SCHEMBL3384238 0.90 NTRK1 (0.59) TBK1CCNT1CCNE1CDK2CDK9
SCHEMBL13431834 0.88 TBK1 (0.83) TBK1CDK2ULK1ULK2MARK3
SCHEMBL3387242 0.87 ULK1 (0.54) TBK1IGF1RNTRK1ULK1ULK2
SCHEMBL3386219 0.87 NTRK1 (0.54) TBK1MAP3K7IRAK4NTRK1ULK1
SCHEMBL3388979 0.87 NTRK1 (0.54) TBK1MAP3K7IRAK4NTRK1ULK1

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 2898/4885CCNT1 887/4885CCNE1 1278/4885

“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.