SCHEMBL1284581

SCHEMBL1284581

NC(=O)CC(n1ccc2cnc(Nc3cccc(CN4CCOCC4)c3)nc21)C1(C(=O)O)CCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 7/20 0.54
▸ JAK3 P52333 3/20 0.47
▸ CDK1 P06493 1/20 0.46
▸ KDR P35968 1/20 0.46
▸ EGFR P00533 2/20 0.44
▸ NUAK1 O60285 2/20 0.44
▸ NTRK1 P04629 2/20 0.44
▸ STK16 O75716 1/20 0.44
▸ CSF1R P07333 1/20 0.44
▸ CSNK2A2 P19784 1/20 0.44
▸ TYK2 P29597 1/20 0.44
▸ AAK1 Q2M2I8 1/20 0.44
▸ ULK3 Q6PHR2 1/20 0.44
▸ BMP2K Q9NSY1 1/20 0.44
▸ CDK2 P24941 2/20 0.44
▸ ULK1 O75385 2/20 0.44
▸ ULK2 Q8IYT8 2/20 0.44
▸ AURKA O14965 2/20 0.44
▸ IKBKE Q14164 2/20 0.44
▸ MARK3 P27448 1/20 0.44

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 0.94 TBK1 (0.47) TBK1JAK3CDK1KDREGFR
SCHEMBL1285268 0.93 AURKA (0.46) TBK1JAK3CDK1KDREGFR
SCHEMBL27844363 0.92 TBK1 (0.55) TBK1JAK3CDK1KDREGFR
SCHEMBL1284577 0.88 HDAC3 (0.47) TBK1JAK3EGFRCDK2CCNA2
SCHEMBL27844447 0.85 AURKA (0.47) TBK1JAK3CDK1KDREGFR
SCHEMBL1284543 0.84 STAT6 (0.51) CDK1CSF1RCDK2AURKACCNA2
SCHEMBL1285558 0.84 CDK4 (0.45) TBK1JAK3CDK1KDREGFR
SCHEMBL1284834 0.84 JAK3 (0.47) TBK1JAK3KDRTYK2JAK2
SCHEMBL1284750 0.83 MAP3K5 (0.46) JAK3EGFRAURKACDK4JAK2
SCHEMBL1285070 0.82 CDK4 (0.45) TBK1JAK3CDK1KDREGFR

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 17/4885JAK3 20/4885CDK1 36/4885

“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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