SCHEMBL1284577

SCHEMBL1284577

NC(=O)CC(n1ccc2cnc(Nc3cccc(N4CCOCC4)c3)nc21)C1(C(=O)O)CCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ JAK3 P52333 2/20 0.46
▸ JAK2 O60674 4/20 0.45
▸ BRD4 O60885 3/20 0.45
▸ BTK Q06187 3/20 0.45
▸ SYK P43405 2/20 0.44
▸ CDK2 P24941 2/20 0.44
▸ STAT6 P42226 2/20 0.44
▸ CDK4 P11802 1/20 0.44
▸ CCNA2 P20248 1/20 0.44
▸ CCND3 P30281 1/20 0.44
▸ CDK6 Q00534 1/20 0.44
▸ EGFR P00533 1/20 0.44
▸ FLT3 P36888 1/20 0.44
▸ BLK P51451 1/20 0.44
▸ CCNT1 O60563 1/20 0.43
▸ CCNE1 P24864 1/20 0.43

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
SCHEMBL1284543 0.91 STAT6 (0.51) JAK2BRD4BTKSYKCDK2
SCHEMBL1284581 0.88 TBK1 (0.54) JAK3JAK2CDK2CDK4CCNA2
SCHEMBL1284193 0.86 STAT6 (0.42) JAK3BTKSYKCDK2STAT6
SCHEMBL1285347 0.86 SYK (0.44) JAK3JAK2BRD4SYKCDK2
SCHEMBL1285558 0.85 CDK4 (0.45) HDAC1HDAC6JAK3JAK2SYK
SCHEMBL1285031 0.85 STAT6 (0.42) JAK3BTKCDK2STAT6CDK4
SCHEMBL1284750 0.84 MAP3K5 (0.46) JAK3JAK2CDK4EGFRFLT3
SCHEMBL1284716 0.84 AURKA (0.38) JAK3JAK2BRD4SYKCDK2
SCHEMBL1284623 0.84 CDK4 (0.42) JAK3BTKCDK2STAT6CDK4
SCHEMBL1285070 0.83 CDK4 (0.45) HDAC1HDAC6JAK3JAK2SYK

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 HDAC3 1519/4885HDAC1 1415/4885HDAC2 2293/4885

“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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