SCHEMBL1284834

SCHEMBL1284834

NC(=O)CC(n1ccc2cnc(Nc3cnn(CCN4CCOCC4)c3)nc21)C1(C(=O)O)CCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 8/20 0.47
▸ KDR P35968 1/20 0.44
▸ AURKB Q96GD4 1/20 0.44
▸ JAK2 O60674 8/20 0.44
▸ JAK1 P23458 3/20 0.44
▸ TBK1 Q9UHD2 1/20 0.42
▸ BTK Q06187 2/20 0.40
▸ HDAC6 Q9UBN7 7/20 0.40
▸ CAMK2D Q13557 1/20 0.39
▸ HDAC1 Q13547 2/20 0.39
▸ TYK2 P29597 1/20 0.39
▸ IGF1R P08069 1/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC7 Q8WUI4 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC10 Q969S8 1/20 0.38
▸ HDAC11 Q96DB2 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC9 Q9UKV0 1/20 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
SCHEMBL1285021 0.87 EIF2AK4 (0.46) JAK3JAK2JAK1TYK2
SCHEMBL1284416 0.86 JAK3 (0.49) JAK3KDRJAK2JAK1CAMK2D
SCHEMBL1284543 0.85 STAT6 (0.51) JAK2BTK
SCHEMBL1284581 0.84 TBK1 (0.54) JAK3KDRJAK2TBK1TYK2
SCHEMBL1284193 0.83 STAT6 (0.42) JAK3JAK1TBK1BTK
SCHEMBL1284527 0.83 CCNA2 (0.49) JAK2BTK
SCHEMBL1284577 0.82 HDAC3 (0.47) JAK3JAK2JAK1TBK1BTK
SCHEMBL1285031 0.81 STAT6 (0.42) JAK3JAK1TBK1BTK
SCHEMBL1284623 0.81 CDK4 (0.42) JAK3TBK1BTK
SCHEMBL1285275 0.80 FLT4 (0.47) JAK3KDRJAK1TBK1

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 3 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

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 20/4885KDR 216/4885AURKB 507/4885

“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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