SCHEMBL1284522

SCHEMBL1284522

O=C(NCCCn1ccc2cnc(Nc3ccc(C(=O)N4CCOCC4)cc3)nc21)C1CCC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 14/20 0.68
CDK2 P24941 2/20 0.53
MARK3 P27448 2/20 0.53
IKBKE Q14164 2/20 0.53
BRSK2 Q8IWQ3 1/20 0.53
AURKB Q96GD4 1/20 0.53
MKNK1 Q9BUB5 1/20 0.53
MAPK10 P53779 1/20 0.48
JAK2 O60674 1/20 0.47
LRRK2 Q5S007 1/20 0.47
CCNT1 O60563 1/20 0.47
CDK1 P06493 1/20 0.47
CDK4 P11802 1/20 0.47
CCNA2 P20248 1/20 0.47
CCND1 P24385 1/20 0.47
CCNE1 P24864 1/20 0.47
CCND3 P30281 1/20 0.47
CDK9 P50750 1/20 0.47
CDK3 Q00526 1/20 0.47
CDK6 Q00534 1/20 0.47

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
SCHEMBL1284538 0.89 TBK1 (0.71) TBK1CDK2MARK3IKBKEBRSK2
SCHEMBL15163551 0.89 TBK1 (0.54) TBK1CDK2MAPK10JAK2LRRK2
SCHEMBL1284191 0.85 TBK1 (0.68) TBK1CDK2MARK3IKBKEBRSK2
SCHEMBL3711931 0.85 JAK2 (0.53) TBK1CDK2MAPK10JAK2LRRK2
SCHEMBL1285026 0.84 TBK1 (0.66) TBK1CDK2MARK3IKBKEBRSK2
SCHEMBL1284439 0.83 TBK1 (0.65) TBK1CDK2MARK3IKBKEBRSK2
SCHEMBL1284833 0.83 TBK1 (0.72) TBK1CDK2MARK3IKBKEBRSK2
SCHEMBL27825350 0.83 JAK2 (0.57) TBK1CDK2MAPK10JAK2LRRK2
SCHEMBL1284279 0.83 TBK1 (0.70) TBK1CDK2MARK3IKBKEBRSK2
SCHEMBL1284573 0.83 TBK1 (0.78) 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 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 17/4885CDK2 89/4885MARK3 1/4885

“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.