SCHEMBL3389183

SCHEMBL3389183

CN1CCN(c2cccc(Nc3ncc(C4CC4)c(NCCCN)n3)c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 8/20 0.59
JAK2 O60674 1/20 0.53
JAK1 P23458 1/20 0.53
JAK3 P52333 1/20 0.53
NTRK1 P04629 1/20 0.52
NTRK3 Q16288 1/20 0.52
NTRK2 Q16620 1/20 0.52
ULK1 O75385 6/20 0.51
ULK2 Q8IYT8 6/20 0.51
STK17A Q9UEE5 4/20 0.49
MARK3 P27448 3/20 0.49
MARK4 Q96L34 2/20 0.49
PDPK1 O15530 1/20 0.49
CDK2 P24941 2/20 0.48
CCNT1 O60563 1/20 0.48
CDK1 P06493 1/20 0.48
CCNB1 P14635 1/20 0.48
CCNA2 P20248 1/20 0.48
CDK7 P50613 1/20 0.48
CDK9 P50750 1/20 0.48

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
SCHEMBL3389428 0.89 TBK1 (0.73) TBK1JAK1JAK3NTRK1ULK1
SCHEMBL3384653 0.89 STK17A (0.60) TBK1JAK2ULK1ULK2STK17A
SCHEMBL3389178 0.87 TBK1 (0.59) TBK1JAK2JAK1JAK3NTRK1
SCHEMBL3384338 0.86 ULK1 (0.62) TBK1JAK2JAK3NTRK1ULK1
SCHEMBL3386112 0.85 TBK1 (0.56) TBK1ULK1ULK2STK17AMARK3
SCHEMBL13431844 0.84 TBK1 (0.83) TBK1ULK1ULK2STK17AMARK3
SCHEMBL3387443 0.84 TBK1 (0.63) TBK1NTRK1ULK1ULK2STK17A
SCHEMBL3389450 0.84 TBK1 (0.58) TBK1ULK1ULK2STK17AMARK3
SCHEMBL3387242 0.82 ULK1 (0.54) TBK1NTRK1ULK1ULK2STK17A
Trifluoroacetic Acid SCHEMBL3387967 0.82 TBK1 (0.70) TBK1NTRK1ULK1ULK2STK17A

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.