SCHEMBL1285068

SCHEMBL1285068

O=C(NCCCn1ccc2cnc(Nc3cccc(F)c3)nc21)C1CCCC1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 14/20 0.69
PDPK1 O15530 3/20 0.64
AURKA O14965 2/20 0.47
CDK4 P11802 2/20 0.47
MARK3 P27448 2/20 0.47
MARK4 Q96L34 2/20 0.47
STK17A Q9UEE5 2/20 0.47
CCND1 P24385 1/20 0.46
CCND2 P30279 1/20 0.46
CCND3 P30281 1/20 0.46
JAK2 O60674 2/20 0.46
JAK1 P23458 2/20 0.46
TYK2 P29597 2/20 0.46
JAK3 P52333 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
ULK1 O75385 1/20 0.46
PDK1 Q15118 1/20 0.46
ULK2 Q8IYT8 1/20 0.46

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
SCHEMBL1285556 0.98 TBK1 (0.72) TBK1PDPK1CDK4MARK3MARK4
SCHEMBL15163301 0.88 TBK1 (0.57) TBK1PDPK1AURKACDK4MARK3
Cyclopentane SCHEMBL15163150 0.88 TBK1 (0.57) TBK1PDPK1AURKACDK4MARK3
SCHEMBL1285492 0.88 TBK1 (0.70) TBK1PDPK1AURKACDK4MARK3
SCHEMBL1284746 0.86 TBK1 (0.72) TBK1PDPK1MARK3MARK4STK17A
SCHEMBL1284924 0.85 TBK1 (0.68) TBK1PDPK1CDK4MARK3MARK4
SCHEMBL1284996 0.84 TBK1 (0.90) TBK1PDPK1AURKACDK4MARK3
SCHEMBL1285266 0.83 TBK1 (0.88) TBK1PDPK1AURKACDK4MARK3
SCHEMBL1285158 0.83 TBK1 (0.60) TBK1PDPK1MARK3MARK4STK17A
SCHEMBL1285315 0.83 TBK1 (0.67) TBK1PDPK1MARK3MARK4STK17A

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 8 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
EP-2403853-B1 PYRROLOPYRIMIDINES USED AS KINASE INHIBITORS MEDICAL RES COUNCIL TECHNOLOGY (GB) 2013-08-14 EP 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
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 17/4885PDPK1 280/4885AURKA 474/4885

“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.