SCHEMBL1285070

SCHEMBL1285070

NC(=O)CC(n1ccc2cnc(Nc3cccc(F)c3)nc21)C1(C(=O)O)CCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 2/20 0.45
▸ CCND1 P24385 1/20 0.45
▸ CCND2 P30279 1/20 0.45
▸ CCND3 P30281 1/20 0.45
▸ AURKA O14965 4/20 0.42
▸ JAK3 P52333 6/20 0.39
▸ PRKD3 O94806 4/20 0.39
▸ CDK2 P24941 4/20 0.39
▸ GSK3B P49841 4/20 0.39
▸ CDK5 Q00535 4/20 0.39
▸ MAP4K2 Q12851 4/20 0.39
▸ DYRK1A Q13627 4/20 0.39
▸ CLK4 Q9HAZ1 4/20 0.39
▸ STK17A Q9UEE5 4/20 0.39
▸ PKN2 Q16513 3/20 0.39
▸ DAPK3 O43293 3/20 0.39
▸ PIM1 P11309 3/20 0.39
▸ CSNK1A1 P48729 3/20 0.39
▸ MELK Q14680 3/20 0.39
▸ HIPK2 Q9H2X6 3/20 0.39

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
SCHEMBL1285558 0.98 CDK4 (0.45) CDK4CCND1CCND2CCND3AURKA
SCHEMBL28793682 0.91 CDK4 (0.46) CDK4CCND1CCND2CCND3AURKA
SCHEMBL1285497 0.89 MAP3K5 (0.46) CDK4AURKAJAK3FLT3JAK2
SCHEMBL27825347 0.89 CDK4 (0.46) CDK4CCND1CCND2CCND3AURKA
SCHEMBL1284750 0.87 MAP3K5 (0.46) CDK4AURKAJAK3FLT3JAK2
SCHEMBL1284926 0.85 CDK4 (0.40) CDK4CCND1CCND2CCND3AURKA
SCHEMBL1284997 0.85 TBK1 (0.47) CDK4AURKAJAK3PRKD3CDK2
SCHEMBL1285268 0.84 AURKA (0.46) CDK4AURKAJAK3PRKD3CDK2
SCHEMBL1285162 0.84 CDK4 (0.41) CDK4CCND1CCND2CCND3AURKA
SCHEMBL1285317 0.84 TBK1 (0.40) CDK4CCND1CCND2CCND3JAK3

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 CDK4 85/4885CCND1 574/4885CCND2 1091/4885

“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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