SCHEMBL1284746

SCHEMBL1284746

CC(=O)Nc1cccc(Nc2ncc3ccn(CCCNC(=O)C4CCC4)c3n2)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 15/20 0.72
ALDH1A1 P00352 1/20 0.54
STK17A Q9UEE5 3/20 0.53
MARK3 P27448 2/20 0.53
MARK4 Q96L34 2/20 0.53
STK17B O94768 1/20 0.51
TYK2 P29597 1/20 0.51
AAK1 Q2M2I8 1/20 0.51
SIK2 Q9H0K1 1/20 0.51
MKNK2 Q9HBH9 1/20 0.51
ULK1 O75385 1/20 0.50
PDK1 Q15118 1/20 0.50
ULK2 Q8IYT8 1/20 0.50
PDPK1 O15530 3/20 0.49
ABL1 P00519 1/20 0.48
PDGFRB P09619 1/20 0.48
SRC P12931 1/20 0.48
PDGFRA P16234 1/20 0.48
MAPK14 Q16539 1/20 0.48
MAP3K5 Q99683 1/20 0.47

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
SCHEMBL1285492 0.98 TBK1 (0.70) TBK1ALDH1A1STK17AMARK3MARK4
Cyclopentane SCHEMBL15163273 0.89 TBK1 (0.57) TBK1STK17AMARK3TYK2PDPK1
SCHEMBL15163279 0.89 TBK1 (0.57) TBK1STK17AMARK3TYK2PDPK1
SCHEMBL1285556 0.88 TBK1 (0.72) TBK1STK17AMARK3MARK4STK17B
SCHEMBL1285068 0.86 TBK1 (0.69) TBK1STK17AMARK3MARK4TYK2
SCHEMBL1284924 0.85 TBK1 (0.68) TBK1STK17AMARK3MARK4STK17B
SCHEMBL1284996 0.84 TBK1 (0.90) TBK1STK17AMARK3MARK4STK17B
SCHEMBL1285266 0.84 TBK1 (0.88) TBK1STK17AMARK3MARK4STK17B
SCHEMBL1284415 0.83 TBK1 (0.65) TBK1MARK3
SCHEMBL1284951 0.83 TBK1 (0.65) TBK1MARK3ULK1ULK2PDPK1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120088753-A1 PYRROLOPYRIMIDINES AND USED AS KINASE INHIBITORS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2012-04-12 US claimed
EP-2403853-A1 PYRROLOPYRIMIDINES USED AS KINASE INHIBITORS Medical Research Council Technology (GB) 2012-01-11 EP claimed
US-20120088753-A1 PYRROLOPYRIMIDINES AND USED AS KINASE INHIBITORS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2012-04-12 US disclosed
US-20120088753-A1 PYRROLOPYRIMIDINES AND USED AS KINASE INHIBITORS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2012-04-12 US disclosed
US-20120088753-A1 PYRROLOPYRIMIDINES AND USED AS KINASE INHIBITORS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2012-04-12 US disclosed
EP-2403853-A1 PYRROLOPYRIMIDINES USED AS KINASE INHIBITORS Medical Research Council Technology (GB) 2012-01-11 EP disclosed
WO-2010100431-A1 PYRROLOPYRIMIDINES USED AS KINASE INHIBITORS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-09-10 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-20120088753-A1 PYRROLOPYRIMIDINES AND USED AS KINASE INHIBITORS MARK3, MAPK8, CDK8 TBK1 17/4885ALDH1A1 4193/4885STK17A 64/4885

“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.