SCHEMBL1285097

SCHEMBL1285097

COC1(c2ccc(Nc3ncc4ccn(C(CC(N)=O)C5(C(=O)O)CCC5)c4n3)cc2)CCN(C)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 5/20 0.38
▸ JAK1 P23458 2/20 0.38
▸ JAK3 P52333 2/20 0.37
▸ FGFR4 P22455 7/20 0.36
▸ BRD4 O60885 3/20 0.36
▸ MAP3K7 O43318 1/20 0.36
▸ MAP2K1 Q02750 1/20 0.36
▸ WEE1 P30291 1/20 0.36
▸ PLK1 P53350 1/20 0.36
▸ CDK4 P11802 5/20 0.36
▸ AURKA O14965 3/20 0.36
▸ CDK1 P06493 2/20 0.36
▸ INSR P06213 1/20 0.36
▸ PDGFRB P09619 1/20 0.36
▸ SRC P12931 1/20 0.36
▸ PDGFRA P16234 1/20 0.36
▸ FLT1 P17948 1/20 0.36
▸ FLT4 P35916 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ CDK7 P50613 1/20 0.36

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
SCHEMBL1284832 0.90 JAK3 (0.38) JAK2JAK1JAK3FGFR4BRD4
SCHEMBL1284495 0.87 JAK2 (0.38) JAK2JAK1JAK3FGFR4BRD4
SCHEMBL1284285 0.86 CDK4 (0.51) JAK2JAK3FGFR4BRD4MAP3K7
SCHEMBL1285557 0.85 STAT6 (0.48) JAK2JAK3BRD4FLT4KDR
SCHEMBL1285257 0.84 PTK2 (0.43) JAK3WEE1PLK1SRC
SCHEMBL1285380 0.83 JAK3 (0.47) JAK2JAK1JAK3FGFR4BRD4
SCHEMBL1284416 0.81 JAK3 (0.49) JAK2JAK1JAK3FLT4KDR
SCHEMBL1285114 0.81 JAK3 (0.45) JAK2JAK1JAK3FGFR4BRD4
SCHEMBL1284506 0.81 CAMK2D (0.43) JAK2JAK1JAK3WEE1CDK4
SCHEMBL1284543 0.80 STAT6 (0.51) JAK2FGFR4BRD4CDK4AURKA

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 2 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
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 JAK2 159/4885JAK1 49/4885JAK3 20/4885

“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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