SCHEMBL1284702

SCHEMBL1284702

NC(=O)CC(n1ccc2cnc(Nc3ccc4nccnc4c3)nc21)C1(C(=O)O)CCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 7/20 0.42
▸ AURKA O14965 4/20 0.37
▸ CDK4 P11802 2/20 0.37
▸ STAT6 P42226 2/20 0.36
▸ CDK1 P06493 3/20 0.35
▸ CDK2 P24941 3/20 0.35
▸ CCNT1 O60563 1/20 0.35
▸ CCNA2 P20248 1/20 0.35
▸ CCND1 P24385 1/20 0.35
▸ CCNE1 P24864 1/20 0.35
▸ CCND3 P30281 1/20 0.35
▸ CDK7 P50613 1/20 0.35
▸ CDK9 P50750 1/20 0.35
▸ CDK3 Q00526 1/20 0.35
▸ CDK6 Q00534 1/20 0.35
▸ CDK5R1 Q15078 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL1284926 0.85 CDK4 (0.40) AURKACDK4CDK2CCNA2CCND1
SCHEMBL1285558 0.85 CDK4 (0.45) SYKAURKACDK4STAT6CDK1
SCHEMBL1284479 0.84 SYK (0.44) SYKCDK1CDK2CDK9EGFR
SCHEMBL1284954 0.84 SYK (0.42) SYKAURKACDK4STAT6CDK1
SCHEMBL1284750 0.84 MAP3K5 (0.46) AURKACDK4EGFRJAK2JAK3
SCHEMBL1284597 0.84 SYK (0.46) SYKAURKACDK4STAT6CDK1
SCHEMBL1284762 0.84 SYK (0.41) SYKAURKACDK4CDK1CDK2
SCHEMBL1285070 0.83 CDK4 (0.45) SYKAURKACDK4STAT6CDK1
SCHEMBL1284416 0.83 JAK3 (0.49) SYKCDK2CDK7CDK9JAK2
SCHEMBL1284506 0.82 CAMK2D (0.43) AURKACDK4STAT6CDK1CDK2

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 SYK 230/4885AURKA 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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