SCHEMBL1284236

SCHEMBL1284236

Cn1ncc2cc(Nc3ncc4ccn(C(CC(N)=O)C5(C(=O)O)CCC5)c4n3)cnc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 3/20 0.35
▸ JAK2 O60674 2/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ AURKA O14965 12/20 0.35
▸ CDK1 P06493 11/20 0.35
▸ AURKB Q96GD4 10/20 0.35
▸ CDK4 P11802 2/20 0.34
▸ CCNT1 O60563 1/20 0.34
▸ CCNA2 P20248 1/20 0.34
▸ CCND1 P24385 1/20 0.34
▸ CCNE1 P24864 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ CCND3 P30281 1/20 0.34
▸ CDK7 P50613 1/20 0.34
▸ CDK9 P50750 1/20 0.34
▸ CDK3 Q00526 1/20 0.34
▸ CDK6 Q00534 1/20 0.34
▸ CDK5R1 Q15078 1/20 0.34
▸ RPS6KA3 P51812 1/20 0.33
▸ STAT6 P42226 1/20 0.33

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
SCHEMBL1284762 0.90 SYK (0.41) JAK3JAK2JAK1AURKACDK1
SCHEMBL1284954 0.89 SYK (0.42) JAK3JAK2JAK1AURKACDK1
SCHEMBL1284416 0.86 JAK3 (0.49) JAK3JAK2JAK1CDK2CDK7
SCHEMBL1285021 0.82 EIF2AK4 (0.46) JAK3JAK2JAK1
SCHEMBL1284750 0.82 MAP3K5 (0.46) JAK3JAK2AURKAAURKBCDK4
SCHEMBL1284926 0.81 CDK4 (0.40) AURKACDK4CCNA2CCND1CDK2
SCHEMBL1285558 0.81 CDK4 (0.45) JAK3JAK2JAK1AURKACDK1
SCHEMBL1284702 0.81 SYK (0.42) JAK3JAK2JAK1AURKACDK1
SCHEMBL1285380 0.81 JAK3 (0.47) JAK3JAK2JAK1AURKACDK1
SCHEMBL1284479 0.81 SYK (0.44) JAK3JAK2CDK1AURKBCDK2

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 JAK3 20/4885JAK2 159/4885JAK1 49/4885

“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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