SCHEMBL13756756

SCHEMBL13756756

CS(=O)(=O)c1ccc(N2CCc3cnc(Nc4ccc(F)cc4)nc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 2/20 0.48
▸ CCNB2 O95067 2/20 0.48
▸ CDK1 P06493 2/20 0.48
▸ CCNB1 P14635 2/20 0.48
▸ CDK5 Q00535 2/20 0.48
▸ CDK5R1 Q15078 2/20 0.48
▸ CCNB3 Q8WWL7 2/20 0.48
▸ JAK2 O60674 3/20 0.43
▸ JAK3 P52333 2/20 0.43
▸ CCNT1 O60563 1/20 0.43
▸ CCNE2 O96020 1/20 0.43
▸ CCNE1 P24864 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ CDK9 P50750 1/20 0.43
▸ PTK2 Q05397 1/20 0.43
▸ FGFR4 P22455 2/20 0.43
▸ EGFR P00533 1/20 0.43
▸ FYN P06241 1/20 0.43
▸ PDGFRB P09619 1/20 0.43
▸ FGFR1 P11362 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
SCHEMBL13756693 0.89 PTGS2 (0.47) PTGS2CCNB2CDK1CCNB1CDK5
SCHEMBL13756834 0.88 CDK2 (0.43) PTGS2CCNB2CDK1CCNB1CDK5
SCHEMBL13756691 0.88 AURKA (0.54) JAK2JAK3PTK2FGFR4BRD4
SCHEMBL13756753 0.88 FGFR4 (0.50) PTGS2CDK5CDK5R1JAK2JAK3
SCHEMBL13756846 0.87 CDK2 (0.44) PTGS2CCNB2CDK1CCNB1CDK5
SCHEMBL13756755 0.85 PTK2 (0.48) CDK5CDK5R1CDK2PTK2FGFR4
SCHEMBL13756800 0.85 CDK2 (0.46) CCNB2CDK1CCNB1CDK5CDK5R1
SCHEMBL13756828 0.84 TTK (0.53) JAK2JAK3PTK2EGFRBRD4
SCHEMBL13756767 0.83 CDK2 (0.46) PTGS2JAK2JAK3CCNT1CCNE1
SCHEMBL13756752 0.82 BRD4 (0.49) PTGS2BRD4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203688-A1 HETEROCYCLIC COMPOUNDS NOVARTIS AG 2009-08-13 — — 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-20090203688-A1 HETEROCYCLIC COMPOUNDS ABL1, JAK2, JAK1 PTGS2 2188/4885CCNB2 1392/4885CDK1 89/4885

“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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