SCHEMBL3387768

SCHEMBL3387768

CC(=O)Nc1ccc(Nc2ncc(C3CC3)c(NCCCN)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 10/20 0.55
CHEK1 O14757 1/20 0.54
FLT3 P36888 1/20 0.54
CDK2 P24941 2/20 0.51
MARK3 P27448 2/20 0.51
IKBKE Q14164 2/20 0.51
BRSK2 Q8IWQ3 2/20 0.51
AURKB Q96GD4 2/20 0.51
MKNK1 Q9BUB5 2/20 0.51
ULK1 O75385 2/20 0.51
ULK2 Q8IYT8 2/20 0.51
STK17A Q9UEE5 6/20 0.51
STK17B O94768 3/20 0.51
SYK P43405 1/20 0.51
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
SCHEMBL3388920 0.90 TBK1 (0.59) TBK1CDK2MARK3IKBKEBRSK2
Hydrochloric Acid SCHEMBL3382461 0.89 TBK1 (0.58) TBK1CDK2MARK3IKBKEBRSK2
SCHEMBL3387756 0.88 SYK (0.53) TBK1FLT3CDK2MARK3IKBKE
SCHEMBL3385958 0.84 STK17A (0.68) TBK1STK17ASTK17BPDPK1
SCHEMBL3389486 0.84 STK17A (0.55) TBK1STK17ASTK17BPDPK1
SCHEMBL3388980 0.83 TBK1 (0.54) TBK1STK17ASTK17B
SCHEMBL3382459 0.82 STK17A (0.54) TBK1CDK2MARK3IKBKEBRSK2
SCHEMBL3386061 0.82 STK17A (0.56) TBK1STK17ASTK17B
SCHEMBL3383920 0.81 TBK1 (0.77) TBK1CHEK1FLT3CDK2MARK3
SCHEMBL13431786 0.81 TBK1 (0.73) TBK1CDK2MARK3IKBKEBRSK2

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 2898/4885CHEK1 1692/4885FLT3 188/4885

“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.