SCHEMBL4292072

SCHEMBL4292072

Cc1ccc(Nc2ncc3ccn(-c4ccc(S(C)(=O)=O)cc4C)c3n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 2/20 0.54
▸ CDK4 P11802 1/20 0.54
▸ PTK2 Q05397 4/20 0.48
▸ RIPK2 O43353 4/20 0.48
▸ NOD2 Q9HC29 4/20 0.48
▸ ACVR1 Q04771 2/20 0.48
▸ JAK2 O60674 11/20 0.46
▸ BRD4 O60885 7/20 0.46
▸ JAK3 P52333 2/20 0.45
▸ EGFR P00533 2/20 0.45
▸ FGFR1 P11362 2/20 0.45
▸ SRC P12931 2/20 0.45
▸ CDC7 O00311 1/20 0.45
▸ CHEK1 O14757 1/20 0.45
▸ DCLK1 O15075 1/20 0.45
▸ MAPK13 O15264 1/20 0.45
▸ PDPK1 O15530 1/20 0.45
▸ DAPK3 O43293 1/20 0.45
▸ ROCK2 O75116 1/20 0.45
▸ PRKD3 O94806 1/20 0.45

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
SCHEMBL4283813 0.81 PTK2 (0.48) AURKACDK4PTK2JAK2BRD4
SCHEMBL1654743 0.76 AURKA (0.54) AURKACDK4PTK2ACVR1JAK2
SCHEMBL1657524 0.75 AURKA (0.59) AURKACDK4RIPK2NOD2ACVR1
SCHEMBL1657463 0.75 JAK2 (0.65) AURKACDK4PTK2RIPK2NOD2
SCHEMBL1654519 0.74 AURKA (0.55) AURKACDK4PTK2RIPK2NOD2
SCHEMBL1654524 0.74 PTK2 (0.64) AURKACDK4PTK2RIPK2JAK2
SCHEMBL1655458 0.74 PTK2 (0.56) AURKACDK4PTK2JAK2BRD4
SCHEMBL1657580 0.74 AURKA (0.57) AURKACDK4PTK2RIPK2NOD2
SCHEMBL1654998 0.73 JAK2 (0.58) AURKACDK4PTK2RIPK2NOD2
SCHEMBL1657468 0.73 AURKA (0.56) AURKACDK4PTK2RIPK2NOD2

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-20090203688-A1 HETEROCYCLIC COMPOUNDS NOVARTIS AG 2009-08-13 — — US claimed
US-8420657-B2 Pyrrolo[2,3-D]pyrimidines and use thereof as tyrosine kinase inhibitors NOVARTIS AG (CH) 2013-04-16 — — US disclosed
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 AURKA 755/4885CDK4 186/4885PTK2 175/4885

“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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