SCHEMBL1284579

SCHEMBL1284579

O=C(NCCCn1ccc2cnc(Nc3ccc(-c4cnco4)cc3)nc21)C1CCC1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 18/20 0.59
SYK P43405 1/20 0.46
CDK2 P24941 2/20 0.44
MARK3 P27448 2/20 0.44
IKBKE Q14164 2/20 0.44
BRSK2 Q8IWQ3 2/20 0.44
AURKB Q96GD4 2/20 0.44
MKNK1 Q9BUB5 2/20 0.44
ULK1 O75385 1/20 0.42
ULK2 Q8IYT8 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
SCHEMBL1284874 0.91 TBK1 (0.67) TBK1MARK3IKBKEULK1ULK2
SCHEMBL15163314 0.89 TBK1 (0.46) TBK1SYK
SCHEMBL1284924 0.82 TBK1 (0.68) TBK1CDK2MARK3IKBKEBRSK2
SCHEMBL1284415 0.82 TBK1 (0.65) TBK1CDK2MARK3IKBKEBRSK2
SCHEMBL1284538 0.82 TBK1 (0.71) TBK1SYKCDK2MARK3IKBKE
SCHEMBL1284522 0.81 TBK1 (0.68) TBK1CDK2MARK3IKBKEBRSK2
SCHEMBL1285127 0.81 TBK1 (0.67) TBK1SYKCDK2MARK3IKBKE
SCHEMBL1284504 0.81 TBK1 (0.66) TBK1CDK2MARK3IKBKEBRSK2
SCHEMBL3719363 0.81 SYK (0.43) SYKCDK2MARK3AURKB
SCHEMBL1284279 0.80 TBK1 (0.70) TBK1CDK2MARK3IKBKEBRSK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200268897-A1 Phosphatase Binding Compounds and Methods of Using Same YALE UNIVERSITY 2020-08-27 US disclosed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 17/4885SYK 230/4885CDK2 89/4885
US-20200268897-A1 Phosphatase Binding Compounds and Methods of Using Same PPP5C, PPP4C, DUSP26 TBK1 1037/4885SYK 2800/4885CDK2 711/4885

“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.