SCHEMBL1285031

SCHEMBL1285031

NC(=O)CC(n1ccc2cnc(Nc3ccc(N4CCOCC4)nc3)nc21)C1(C(=O)O)CCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT6 P42226 6/20 0.42
▸ TBK1 Q9UHD2 1/20 0.41
▸ CDK4 P11802 4/20 0.41
▸ AURKA O14965 1/20 0.41
▸ KCNH2 Q12809 2/20 0.40
▸ CSF1R P07333 1/20 0.40
▸ DAPK1 P53355 1/20 0.40
▸ CCNE1 P24864 3/20 0.40
▸ CDK2 P24941 3/20 0.40
▸ CCND1 P24385 3/20 0.39
▸ CCND2 P30279 2/20 0.39
▸ CCND3 P30281 2/20 0.39
▸ JAK3 P52333 2/20 0.39
▸ DGAT1 O75907 1/20 0.38
▸ CCNB2 O95067 1/20 0.38
▸ CCNE2 O96020 1/20 0.38
▸ CDK1 P06493 1/20 0.38
▸ CCNB1 P14635 1/20 0.38
▸ CCNA2 P20248 1/20 0.38
▸ CCNA1 P78396 1/20 0.38

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
SCHEMBL1284623 0.99 CDK4 (0.42) STAT6TBK1CDK4AURKAKCNH2
SCHEMBL1284193 0.98 STAT6 (0.42) STAT6TBK1CDK4AURKAKCNH2
SCHEMBL1285329 0.97 STAT6 (0.43) STAT6TBK1CDK4AURKAKCNH2
SCHEMBL1284543 0.90 STAT6 (0.51) STAT6CDK4AURKACSF1RCCNE1
SCHEMBL1285380 0.89 JAK3 (0.47) CDK4AURKACCNE1CDK2CCND1
SCHEMBL1285114 0.87 JAK3 (0.45) CDK4AURKACCNE1CDK2CCND1
SCHEMBL1285279 0.85 STAT6 (0.45) STAT6TBK1CDK4AURKAKCNH2
SCHEMBL1285160 0.85 WEE1 (0.40) STAT6TBK1KCNH2CSF1RDAPK1
SCHEMBL1284577 0.85 HDAC3 (0.47) STAT6TBK1CDK4CCNE1CDK2
SCHEMBL1284527 0.84 CCNA2 (0.49) STAT6CDK4CCNE1CDK2CCND1

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 STAT6 446/4885TBK1 17/4885CDK4 85/4885

“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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