SCHEMBL1285557

SCHEMBL1285557

CN1CCC(c2ccc(Nc3ncc4ccn(C(CC(N)=O)C5(C(=O)O)CCC5)c4n3)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ STAT6 P42226 1/20 0.48
▸ JAK3 P52333 2/20 0.47
▸ MAP4K1 Q92918 3/20 0.47
▸ TTK P33981 1/20 0.46
▸ PTK2 Q05397 5/20 0.46
▸ FLT4 P35916 2/20 0.46
▸ KDR P35968 2/20 0.46
▸ JAK2 O60674 2/20 0.45
▸ BRD4 O60885 2/20 0.45
▸ CSF1R P07333 3/20 0.44
▸ TBK1 Q9UHD2 1/20 0.42

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
SCHEMBL1284620 0.91 JAK3 (0.42) STAT6JAK3MAP4K1TTKPTK2
SCHEMBL1284285 0.87 CDK4 (0.51) STAT6JAK3FLT4KDRJAK2
SCHEMBL1284832 0.87 JAK3 (0.38) STAT6JAK3FLT4KDRJAK2
SCHEMBL1285257 0.85 PTK2 (0.43) JAK3PTK2CSF1R
SCHEMBL1285097 0.85 JAK2 (0.38) STAT6JAK3FLT4KDRJAK2
SCHEMBL1285380 0.84 JAK3 (0.47) JAK3FLT4KDRJAK2BRD4
SCHEMBL1284495 0.84 JAK2 (0.38) STAT6JAK3FLT4KDRJAK2
SCHEMBL1284416 0.83 JAK3 (0.49) JAK3FLT4KDRJAK2
SCHEMBL1285114 0.82 JAK3 (0.45) JAK3FLT4KDRJAK2BRD4
SCHEMBL1284506 0.82 CAMK2D (0.43) STAT6JAK3JAK2CSF1RTBK1

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
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 STAT6 446/4885JAK3 20/4885MAP4K1 80/4885

“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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