SCHEMBL1285486

SCHEMBL1285486

O=C(NCCCn1cc(Cl)c2cnc(Nc3cccc(F)c3)nc21)c1cccs1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 15/20 0.60
PDPK1 O15530 6/20 0.60
NUAK1 O60285 1/20 0.46
ULK1 O75385 1/20 0.46
IKBKE Q14164 1/20 0.46
PDK1 Q15118 1/20 0.46
ULK2 Q8IYT8 1/20 0.46
CGAS Q8N884 1/20 0.46
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
CCND2 P30279 1/20 0.41
CCND3 P30281 1/20 0.41
MAPT P10636 1/20 0.40
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL15163263 0.88 TBK1 (0.45) TBK1PDPK1CDK4CCND1CCND2
SCHEMBL1284534 0.85 TBK1 (0.63) TBK1PDPK1NUAK1ULK1IKBKE
SCHEMBL15163281 0.84 TBK1 (0.46) TBK1PDPK1CDK4CCND1CCND2
SCHEMBL1285158 0.82 TBK1 (0.60) TBK1PDPK1NUAK1ULK1IKBKE
SCHEMBL1285101 0.82 KDM4E (0.49) MAPTKDM4E
SCHEMBL3713884 0.79 CDK4 (0.48) CDK4CCND1CCND2CCND3
SCHEMBL3713882 0.79 CDK4 (0.48) CDK4CCND1CCND2CCND3
SCHEMBL3712652 0.76 TBK1 (0.53) TBK1PDPK1NUAK1ULK1IKBKE
SCHEMBL1284739 0.75 TBK1 (0.51) TBK1PDPK1NUAK1ULK1IKBKE
SCHEMBL15163133 0.74 TBK1 (0.52) TBK1PDPK1CDK4CCND1CCND2

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 280/4885NUAK1 594/4885

“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.