SCHEMBL13756769

SCHEMBL13756769

Cc1cc(Nc2ncc3c(n2)N(c2ccc(S(C)(=O)=O)cc2)CC3)ccc1C(=O)N1CCN(C)CC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NUAK1 O60285 1/20 0.54
▸ PDGFRB P09619 1/20 0.43
▸ PDGFRA P16234 1/20 0.43
▸ CCNA2 P20248 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ BRD4 O60885 6/20 0.41
▸ EGFR P00533 5/20 0.41
▸ CSF1R P07333 3/20 0.41
▸ JAK2 O60674 3/20 0.40
▸ SRC P12931 2/20 0.40
▸ JAK1 P23458 1/20 0.40
▸ ERBB2 P04626 1/20 0.40
▸ ERBB3 P21860 1/20 0.40
▸ ERBB4 Q15303 1/20 0.40
▸ CDK4 P11802 2/20 0.40
▸ CCND1 P24385 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ AURKA O14965 1/20 0.40
▸ FLT3 P36888 1/20 0.40

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
SCHEMBL13756843 0.94 NUAK1 (0.47) NUAK1PDGFRBPDGFRACCNA2CDK2
SCHEMBL13756842 0.92 NUAK1 (0.45) NUAK1CCNA2CDK2CSF1RJAK2
SCHEMBL13756768 0.91 NUAK1 (0.44) NUAK1CCNA2CDK2BRD4EGFR
SCHEMBL13756776 0.85 PDGFRB (0.52) NUAK1PDGFRBPDGFRACCNA2CDK2
SCHEMBL1657551 0.82 AURKA (0.59) NUAK1BRD4JAK2JAK1CDK4
SCHEMBL13756697 0.82 CSF1R (0.41) CCNA2CDK2BRD4CSF1RJAK2
SCHEMBL13756691 0.81 AURKA (0.54) BRD4JAK2JAK1CDK4AURKA
SCHEMBL13756846 0.81 CDK2 (0.44) CCNA2CDK2JAK2SRCCDK4
SCHEMBL13756832 0.79 JAK2 (0.56) CCNA2CDK2BRD4JAK2JAK1
SCHEMBL13756766 0.78 NTRK1 (0.49) CCNA2CDK2JAK2JAK1FLT3

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 NUAK1 488/4885PDGFRB 433/4885PDGFRA 353/4885

“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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