SCHEMBL1284474

SCHEMBL1284474

O=C(NCCCn1ccc2cnc(Nc3ccc4[nH]ncc4c3)nc21)C1CCC1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 13/20 0.65
POLB P06746 1/20 0.52
JAK3 P52333 2/20 0.48
SYK P43405 1/20 0.45
ULK1 O75385 2/20 0.44
ULK2 Q8IYT8 1/20 0.44
PDPK1 O15530 2/20 0.43
CDK2 P24941 1/20 0.42
MARK3 P27448 1/20 0.42
IKBKE Q14164 1/20 0.42
BRSK2 Q8IWQ3 1/20 0.42
AURKB Q96GD4 1/20 0.42
MKNK1 Q9BUB5 1/20 0.42
CDC7 O00311 1/20 0.42

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
SCHEMBL15163177 0.89 TBK1 (0.51) TBK1JAK3SYKPDPK1CDK2
SCHEMBL1284697 0.84 TBK1 (0.65) TBK1SYKULK1ULK2PDPK1
SCHEMBL1284595 0.83 TBK1 (0.65) TBK1SYKULK1ULK2PDPK1
SCHEMBL1284759 0.83 TBK1 (0.67) TBK1SYKULK1ULK2PDPK1
SCHEMBL1284951 0.82 TBK1 (0.65) TBK1SYKULK1ULK2PDPK1
SCHEMBL1285556 0.82 TBK1 (0.72) TBK1JAK3ULK1ULK2PDPK1
SCHEMBL1284415 0.81 TBK1 (0.65) TBK1JAK3CDK2MARK3IKBKE
SCHEMBL1284924 0.81 TBK1 (0.68) TBK1PDPK1CDK2MARK3IKBKE
SCHEMBL1284228 0.81 TBK1 (0.63) TBK1JAK3ULK1ULK2PDPK1
SCHEMBL1284746 0.81 TBK1 (0.72) TBK1ULK1ULK2PDPK1MARK3

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
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
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 17/4885POLB 1441/4885JAK3 20/4885

“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.