SCHEMBL1284543

SCHEMBL1284543

NC(=O)CC(n1ccc2cnc(Nc3ccc(N4CCOCC4)cc3)nc21)C1(C(=O)O)CCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT6 P42226 8/20 0.51
▸ CDK4 P11802 3/20 0.50
▸ AURKA O14965 1/20 0.50
▸ CCND1 P24385 2/20 0.48
▸ CCND2 P30279 2/20 0.48
▸ CCND3 P30281 2/20 0.48
▸ CCNE1 P24864 2/20 0.47
▸ CDK2 P24941 2/20 0.47
▸ CCNB2 O95067 1/20 0.47
▸ CCNE2 O96020 1/20 0.47
▸ CDK1 P06493 1/20 0.47
▸ CCNB1 P14635 1/20 0.47
▸ CCNA2 P20248 1/20 0.47
▸ CCNA1 P78396 1/20 0.47
▸ CCNB3 Q8WWL7 1/20 0.47
▸ SYK P43405 2/20 0.46
▸ MAPK8 P45983 1/20 0.45
▸ MAPK9 P45984 1/20 0.45
▸ MAPK10 P53779 1/20 0.45
▸ RPS6KA3 P51812 1/20 0.45

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
SCHEMBL1284577 0.91 HDAC3 (0.47) STAT6CDK4CCND3CCNE1CDK2
SCHEMBL1284193 0.91 STAT6 (0.42) STAT6CDK4AURKACCND1CCND2
SCHEMBL1284285 0.91 CDK4 (0.51) STAT6CDK4AURKACCND1CCND2
SCHEMBL1284527 0.90 CCNA2 (0.49) STAT6CDK4CCND1CCND3CCNE1
SCHEMBL1285031 0.90 STAT6 (0.42) STAT6CDK4AURKACCND1CCND2
SCHEMBL1284623 0.89 CDK4 (0.42) STAT6CDK4AURKACCND1CCND2
SCHEMBL1285329 0.88 STAT6 (0.43) STAT6CDK4AURKACCND1CCND2
SCHEMBL1284917 0.85 MAPK8 (0.47) STAT6CDK4CCND1CCND2CCND3
SCHEMBL1284834 0.85 JAK3 (0.47) BTKJAK2
SCHEMBL1285133 0.84 SYK (0.46) STAT6CDK4CCND1CCND3CCNE1

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 2 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 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 446/4885CDK4 85/4885AURKA 474/4885

“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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