SCHEMBL1285317

SCHEMBL1285317

NC(=O)CC(n1cc(Br)c2cnc(Nc3cccc(F)c3)nc21)C1(C(=O)O)CCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 10/20 0.40
▸ PDPK1 O15530 3/20 0.40
▸ CDK4 P11802 1/20 0.39
▸ CCND1 P24385 1/20 0.39
▸ CCND2 P30279 1/20 0.39
▸ CCND3 P30281 1/20 0.39
▸ DAPK3 O43293 2/20 0.37
▸ PRKD3 O94806 2/20 0.37
▸ PIM1 P11309 2/20 0.37
▸ CDK2 P24941 2/20 0.37
▸ FLT3 P36888 2/20 0.37
▸ CSNK1A1 P48729 2/20 0.37
▸ GSK3B P49841 2/20 0.37
▸ CDK9 P50750 2/20 0.37
▸ JAK3 P52333 2/20 0.37
▸ CDK5 Q00535 2/20 0.37
▸ MAP4K2 Q12851 2/20 0.37
▸ DYRK1A Q13627 2/20 0.37
▸ MELK Q14680 2/20 0.37
▸ HIPK2 Q9H2X6 2/20 0.37

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
SCHEMBL27825351 0.91 TBK1 (0.42) TBK1PDPK1CDK4CCND1CCND2
SCHEMBL1285162 0.91 CDK4 (0.41) CDK4CCND1CCND2CCND3DAPK3
SCHEMBL1285233 0.88 CDK4 (0.38) TBK1PDPK1CDK4CCND1CCND2
SCHEMBL1285558 0.85 CDK4 (0.45) TBK1PDPK1CDK4CCND1CCND2
SCHEMBL1285070 0.84 CDK4 (0.45) TBK1PDPK1CDK4CCND1CCND2
SCHEMBL27844367 0.82 CDK4 (0.41) TBK1PDPK1CDK4CCND1CCND2
SCHEMBL1284677 0.77 — —
SCHEMBL27825347 0.76 CDK4 (0.46) TBK1PDPK1CDK4CCND1CCND2
SCHEMBL15163200 0.75 CDK4 (0.46) TBK1PDPK1CDK4CCND1CCND2
SCHEMBL1284750 0.75 MAP3K5 (0.46) CDK4FLT3JAK3EGFRJAK2

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 TBK1 17/4885PDPK1 280/4885CDK4 85/4885

“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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