SCHEMBL1285268

SCHEMBL1285268

NC(=O)CC(n1ccc2cnc(Nc3cccc(CN4CCCCC4)c3)nc21)C1(C(=O)O)CCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 4/20 0.46
▸ CDK4 P11802 1/20 0.46
▸ TBK1 Q9UHD2 4/20 0.46
▸ JAK3 P52333 9/20 0.42
▸ JAK2 O60674 4/20 0.41
▸ MARK3 P27448 2/20 0.41
▸ PRKAA1 Q13131 2/20 0.41
▸ MARK2 Q7KZI7 2/20 0.41
▸ EGFR P00533 2/20 0.41
▸ TYK2 P29597 2/20 0.41
▸ CDK1 P06493 2/20 0.41
▸ CDK2 P24941 2/20 0.41
▸ KDR P35968 2/20 0.41
▸ DCLK1 O15075 1/20 0.41
▸ PDPK1 O15530 1/20 0.41
▸ ROCK2 O75116 1/20 0.41
▸ PRKD3 O94806 1/20 0.41
▸ MAP4K4 O95819 1/20 0.41
▸ NTRK1 P04629 1/20 0.41
▸ PRKCG P05129 1/20 0.41

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
SCHEMBL1284997 0.99 TBK1 (0.47) AURKACDK4TBK1JAK3JAK2
SCHEMBL1284581 0.93 TBK1 (0.54) AURKACDK4TBK1JAK3JAK2
SCHEMBL27844447 0.92 AURKA (0.47) AURKACDK4TBK1JAK3JAK2
SCHEMBL1285558 0.86 CDK4 (0.45) AURKACDK4TBK1JAK3JAK2
SCHEMBL1284750 0.85 MAP3K5 (0.46) AURKACDK4JAK3JAK2EGFR
SCHEMBL27844363 0.85 TBK1 (0.55) AURKACDK4TBK1JAK3JAK2
SCHEMBL1285070 0.84 CDK4 (0.45) AURKACDK4TBK1JAK3JAK2
SCHEMBL1285497 0.83 MAP3K5 (0.46) AURKACDK4JAK3JAK2EGFR
SCHEMBL1284926 0.83 CDK4 (0.40) AURKACDK4MARK3EGFRCDK2
SCHEMBL1284577 0.82 HDAC3 (0.47) CDK4TBK1JAK3JAK2EGFR

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
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

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 AURKA 474/4885CDK4 85/4885TBK1 17/4885

“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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