SCHEMBL1284716

SCHEMBL1284716

NC(=O)CC(n1ccc2cnc(Nc3cccc(-n4cncn4)c3)nc21)C1(C(=O)O)CCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 4/20 0.38
▸ CDK4 P11802 1/20 0.38
▸ JAK2 O60674 9/20 0.38
▸ SYK P43405 5/20 0.38
▸ JAK3 P52333 4/20 0.38
▸ EGFR P00533 3/20 0.38
▸ DCLK1 O15075 2/20 0.38
▸ PDPK1 O15530 2/20 0.38
▸ ROCK2 O75116 2/20 0.38
▸ PRKD3 O94806 2/20 0.38
▸ MAP4K4 O95819 2/20 0.38
▸ NTRK1 P04629 2/20 0.38
▸ PRKCG P05129 2/20 0.38
▸ LCK P06239 2/20 0.38
▸ FYN P06241 2/20 0.38
▸ CDK1 P06493 2/20 0.38
▸ LYN P07948 2/20 0.38
▸ RET P07949 2/20 0.38
▸ IGF1R P08069 2/20 0.38
▸ ROS1 P08922 2/20 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
SCHEMBL28793685 0.92 AURKA (0.39) AURKACDK4JAK2SYKJAK3
SCHEMBL1285133 0.91 SYK (0.46) CDK4JAK2SYKJAK3CDK1
SCHEMBL1285558 0.84 CDK4 (0.45) AURKACDK4JAK2SYKJAK3
SCHEMBL1284577 0.84 HDAC3 (0.47) CDK4JAK2SYKJAK3EGFR
SCHEMBL1284750 0.84 MAP3K5 (0.46) AURKACDK4JAK2JAK3EGFR
SCHEMBL1285347 0.84 SYK (0.44) AURKACDK4JAK2SYKJAK3
SCHEMBL1284926 0.83 CDK4 (0.40) AURKACDK4EGFRFGFR1CDK2
SCHEMBL1285070 0.83 CDK4 (0.45) AURKACDK4JAK2SYKJAK3
SCHEMBL27844373 0.82 SYK (0.45) JAK2SYKJAK3TYK2IRAK4
SCHEMBL1285497 0.82 MAP3K5 (0.46) AURKACDK4JAK2JAK3EGFR

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 AURKA 474/4885CDK4 85/4885JAK2 159/4885

“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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