SCHEMBL1284623

SCHEMBL1284623

NC(=O)CC(n1ccc2cnc(Nc3ccc(N4CCOCC4)nc3)nc21)C1(C(=O)O)CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 5/20 0.42
▸ AURKA O14965 1/20 0.42
▸ STAT6 P42226 6/20 0.41
▸ TBK1 Q9UHD2 1/20 0.41
▸ KCNH2 Q12809 2/20 0.40
▸ CSF1R P07333 1/20 0.40
▸ DAPK1 P53355 1/20 0.40
▸ CCNE1 P24864 4/20 0.39
▸ CDK2 P24941 4/20 0.39
▸ CCND1 P24385 4/20 0.38
▸ CCND3 P30281 3/20 0.38
▸ CCND2 P30279 2/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ DGAT1 O75907 1/20 0.38
▸ CDK1 P06493 2/20 0.37
▸ CCNA2 P20248 2/20 0.37
▸ MAP3K7 O43318 1/20 0.37
▸ IRAK4 Q9NWZ3 1/20 0.37
▸ CCNT1 O60563 1/20 0.37
▸ CDK9 P50750 1/20 0.37

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
SCHEMBL1285031 0.99 STAT6 (0.42) CDK4AURKASTAT6TBK1KCNH2
SCHEMBL1284193 0.98 STAT6 (0.42) CDK4AURKASTAT6TBK1KCNH2
SCHEMBL1285329 0.96 STAT6 (0.43) CDK4AURKASTAT6TBK1KCNH2
SCHEMBL1284543 0.89 STAT6 (0.51) CDK4AURKASTAT6CSF1RCCNE1
SCHEMBL1285380 0.88 JAK3 (0.47) CDK4AURKACCNE1CDK2CCND1
SCHEMBL1285114 0.86 JAK3 (0.45) CDK4AURKACCNE1CDK2CCND1
SCHEMBL1285279 0.85 STAT6 (0.45) CDK4AURKASTAT6TBK1KCNH2
SCHEMBL1285160 0.84 WEE1 (0.40) STAT6TBK1KCNH2CSF1RDAPK1
SCHEMBL1284577 0.84 HDAC3 (0.47) CDK4STAT6TBK1CCNE1CDK2
SCHEMBL1284527 0.84 CCNA2 (0.49) CDK4STAT6CCNE1CDK2CCND1

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 3 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
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 CDK4 85/4885AURKA 474/4885STAT6 446/4885

“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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