SCHEMBL1284997

SCHEMBL1284997

NC(=O)CC(n1ccc2cnc(Nc3cccc(CN4CCCC4)c3)nc21)C1(C(=O)O)CCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 4/20 0.47
▸ AURKA O14965 4/20 0.45
▸ CDK4 P11802 1/20 0.45
▸ 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
▸ IGF1R P08069 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

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
SCHEMBL1285268 0.99 AURKA (0.46) TBK1AURKACDK4JAK3JAK2
SCHEMBL1284581 0.94 TBK1 (0.54) TBK1AURKACDK4JAK3JAK2
SCHEMBL27844447 0.91 AURKA (0.47) TBK1AURKACDK4JAK3JAK2
SCHEMBL1285558 0.86 CDK4 (0.45) TBK1AURKACDK4JAK3JAK2
SCHEMBL1284750 0.85 MAP3K5 (0.46) AURKACDK4JAK3JAK2EGFR
SCHEMBL27844363 0.85 TBK1 (0.55) TBK1AURKACDK4JAK3JAK2
SCHEMBL1285070 0.85 CDK4 (0.45) TBK1AURKACDK4JAK3JAK2
SCHEMBL1285497 0.84 MAP3K5 (0.46) AURKACDK4JAK3JAK2EGFR
SCHEMBL1284926 0.83 CDK4 (0.40) AURKACDK4MARK3EGFRCDK2
SCHEMBL1284577 0.83 HDAC3 (0.47) TBK1CDK4JAK3JAK2EGFR

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 TBK1 17/4885AURKA 474/4885CDK4 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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