SCHEMBL1284875

SCHEMBL1284875

NC(=O)CC(n1ccc2cnc(Nc3cccc(-c4cnco4)c3)nc21)C1(C(=O)O)CCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 1/20 0.42
▸ IRAK4 Q9NWZ3 4/20 0.41
▸ MAP3K7 O43318 2/20 0.41
▸ PRKCQ Q04759 1/20 0.41
▸ SYK P43405 4/20 0.40
▸ LIMK2 P53671 1/20 0.40
▸ BRAF P15056 2/20 0.39
▸ AURKA O14965 4/20 0.39
▸ CDK4 P11802 1/20 0.39
▸ GSK3B P49841 4/20 0.37
▸ DYRK1A Q13627 4/20 0.37
▸ WNT1 P04628 2/20 0.37
▸ CASR P41180 1/20 0.37
▸ CREBBP Q92793 1/20 0.36
▸ DCLK1 O15075 2/20 0.35
▸ PDPK1 O15530 2/20 0.35
▸ JAK2 O60674 2/20 0.35
▸ ROCK2 O75116 2/20 0.35
▸ PRKD3 O94806 2/20 0.35
▸ MAP4K4 O95819 2/20 0.35

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
SCHEMBL1284584 0.92 SYK (0.45) TBK1IRAK4MAP3K7SYKCDK4
SCHEMBL1285558 0.85 CDK4 (0.45) TBK1IRAK4SYKAURKACDK4
SCHEMBL1284750 0.84 MAP3K5 (0.46) AURKACDK4JAK2EGFRSRC
SCHEMBL1284926 0.84 CDK4 (0.40) AURKACDK4DYRK1AEGFRFGFR1
SCHEMBL1285070 0.83 CDK4 (0.45) TBK1IRAK4SYKAURKACDK4
SCHEMBL1285497 0.83 MAP3K5 (0.46) AURKACDK4JAK2EGFRSRC
SCHEMBL1284577 0.82 HDAC3 (0.47) TBK1MAP3K7SYKCDK4JAK2
SCHEMBL1284997 0.81 TBK1 (0.47) TBK1IRAK4SYKAURKACDK4
SCHEMBL1284716 0.81 AURKA (0.38) IRAK4SYKAURKACDK4GSK3B
SCHEMBL1285268 0.81 AURKA (0.46) TBK1IRAK4SYKLIMK2AURKA

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 17/4885IRAK4 178/4885MAP3K7 8/4885

“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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