SCHEMBL1285497

SCHEMBL1285497

CC(=O)Nc1cccc(Nc2ncc3ccn(C(CC(N)=O)C4(C(=O)O)CCCC4)c3n2)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAP3K5 Q99683 2/20 0.46
▸ ABL1 P00519 3/20 0.44
▸ PDGFRB P09619 1/20 0.44
▸ SRC P12931 1/20 0.44
▸ PDGFRA P16234 1/20 0.44
▸ MAPK14 Q16539 1/20 0.44
▸ AURKA O14965 3/20 0.42
▸ SCN9A Q15858 2/20 0.42
▸ CDK4 P11802 1/20 0.42
▸ CSNK2A1 P68400 6/20 0.41
▸ EGFR P00533 1/20 0.40
▸ WEE1 P30291 1/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ JAK3 P52333 1/20 0.38
▸ PTK2 Q05397 1/20 0.38
▸ KIT P10721 1/20 0.38
▸ FLT3 P36888 1/20 0.38
▸ AURKB Q96GD4 1/20 0.38

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
SCHEMBL1284750 0.98 MAP3K5 (0.46) MAP3K5ABL1PDGFRBSRCPDGFRA
SCHEMBL28793684 0.91 MAP3K5 (0.47) MAP3K5ABL1PDGFRBSRCPDGFRA
SCHEMBL1285070 0.89 CDK4 (0.45) SRCAURKACDK4CSNK2A1EGFR
SCHEMBL27825349 0.89 MAP3K5 (0.47) MAP3K5ABL1PDGFRBSRCPDGFRA
SCHEMBL1285558 0.87 CDK4 (0.45) SRCAURKACDK4CSNK2A1EGFR
SCHEMBL1284926 0.84 CDK4 (0.40) PDGFRBAURKACDK4EGFR
SCHEMBL1284997 0.84 TBK1 (0.47) SRCAURKACDK4CSNK2A1EGFR
SCHEMBL1285268 0.83 AURKA (0.46) SRCAURKACDK4CSNK2A1EGFR
SCHEMBL1284875 0.83 TBK1 (0.42) SRCAURKACDK4CSNK2A1EGFR
SCHEMBL1284577 0.83 HDAC3 (0.47) CDK4EGFRJAK2JAK3FLT3

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 MAP3K5 31/4885ABL1 848/4885PDGFRB 1234/4885

“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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