SCHEMBL3389178

SCHEMBL3389178

CN1CCN(c2cccc(Nc3ncc(C4CC4)c(NCCC(N)=O)n3)c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 6/20 0.59
JAK2 O60674 1/20 0.53
JAK1 P23458 1/20 0.53
JAK3 P52333 1/20 0.53
SYK P43405 2/20 0.51
ULK1 O75385 4/20 0.51
ULK2 Q8IYT8 4/20 0.51
PTK2 Q05397 2/20 0.51
CDK2 P24941 2/20 0.50
BRD4 O60885 2/20 0.50
AURKA O14965 1/20 0.50
CCNA2 P20248 1/20 0.50
CCNA1 P78396 1/20 0.50
NTRK1 P04629 1/20 0.50
NTRK3 Q16288 1/20 0.50
NTRK2 Q16620 1/20 0.50
MARK3 P27448 1/20 0.49
MARK4 Q96L34 1/20 0.49
STK17A Q9UEE5 1/20 0.49
PDPK1 O15530 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
SCHEMBL3389420 0.90 TBK1 (0.72) TBK1SYKULK1ULK2CDK2
SCHEMBL3384644 0.90 SYK (0.63) TBK1SYKULK1ULK2CDK2
SCHEMBL3389183 0.87 TBK1 (0.59) TBK1JAK2JAK1JAK3ULK1
SCHEMBL3384329 0.87 ULK1 (0.61) TBK1JAK3ULK1ULK2CDK2
SCHEMBL3387435 0.87 TBK1 (0.59) TBK1ULK1ULK2PTK2CDK2
SCHEMBL3386107 0.86 TBK1 (0.56) TBK1SYKULK1ULK2NTRK1
SCHEMBL3387230 0.85 IGF1R (0.52) TBK1ULK1ULK2BRD4NTRK1
Trifluoroacetic Acid SCHEMBL3387959 0.85 TBK1 (0.66) TBK1SYKULK1ULK2CDK2
SCHEMBL3389438 0.84 TBK1 (0.58) TBK1JAK3SYKULK1ULK2
SCHEMBL13431844 0.84 TBK1 (0.83) TBK1ULK1ULK2CDK2MARK3

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 2898/4885JAK2 142/4885JAK1 418/4885

“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.