SCHEMBL1284793

SCHEMBL1284793

N#Cc1cccc(Nc2ncc3ccn(CCCNC(=O)c4cccs4)c3n2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 10/20 0.49
▸ PDPK1 O15530 4/20 0.49
▸ 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
▸ CNR2 P34972 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ SYK P43405 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ CASP1 P29466 2/20 0.39
▸ CASP7 P55210 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ CLK4 Q9HAZ1 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 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
SCHEMBL1284534 0.88 TBK1 (0.63) TBK1PDPK1NUAK1ULK1IKBKE
SCHEMBL3712652 0.88 TBK1 (0.53) TBK1PDPK1NUAK1ULK1IKBKE
SCHEMBL15163079 0.87 TBK1 (0.48) TBK1PDPK1CNR2SYKMEN1
SCHEMBL3712646 0.86 TBK1 (0.50) TBK1PDPK1NUAK1ULK1IKBKE
SCHEMBL1284739 0.85 TBK1 (0.51) TBK1PDPK1NUAK1ULK1IKBKE
SCHEMBL1284349 0.85 TBK1 (0.48) TBK1PDPK1NUAK1ULK1IKBKE
SCHEMBL1284580 0.83 TBK1 (0.68) TBK1PDPK1NUAK1ULK1IKBKE
SCHEMBL15163134 0.81 TBK1 (0.54) TBK1PDPK1NUAK1ULK1IKBKE
SCHEMBL15163235 0.79 SYK (0.52) TBK1PDPK1SYKMEN1ALDH1A1
SCHEMBL15163234 0.78 SYK (0.47) TBK1PDPK1CNR2SYKMEN1

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 4 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
EP-2403853-A1 PYRROLOPYRIMIDINES USED AS KINASE INHIBITORS Medical Research Council Technology (GB) 2012-01-11 — — EP 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.

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