SCHEMBL13498291

SCHEMBL13498291

B[SH]1(=O)CCN(c2ccc(-c3cccc4cnc(Nc5ccc(S(N)(=O)=O)cc5)nc34)cn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK10 P53779 6/20 0.46
▸ IKBKB O14920 2/20 0.44
▸ JUN P05412 3/20 0.43
▸ MAPK8 P45983 2/20 0.43
▸ JAK2 O60674 2/20 0.42
▸ BRD4 O60885 1/20 0.42
▸ CA1 P00915 4/20 0.42
▸ CA2 P00918 4/20 0.42
▸ CA9 Q16790 4/20 0.42
▸ CA12 O43570 2/20 0.42
▸ CDK1 P06493 2/20 0.42
▸ CDK9 P50750 2/20 0.42
▸ CCNT1 O60563 1/20 0.42
▸ CCNB1 P14635 1/20 0.42
▸ CDK7 P50613 1/20 0.42
▸ CCNH P51946 1/20 0.42
▸ SMG1 Q96Q15 1/20 0.41
▸ NTRK1 P04629 1/20 0.41
▸ CA4 P22748 2/20 0.40
▸ PIK3CD O00329 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
SCHEMBL1633314 0.90 MAPK10 (0.49) MAPK10IKBKBJUNMAPK8JAK2
SCHEMBL1633192 0.88 JAK2 (0.55) MAPK10IKBKBJUNMAPK8JAK2
SCHEMBL1633868 0.88 MAPK10 (0.57) MAPK10JUNMAPK8JAK2CA1
SCHEMBL12724257 0.87 MAPK10 (0.46) MAPK10IKBKBJUNMAPK8JAK2
SCHEMBL1633943 0.85 MAPK10 (0.47) MAPK10IKBKBJUNMAPK8JAK2
SCHEMBL1633022 0.82 MAPK10 (0.44) MAPK10IKBKBJUNMAPK8JAK2
SCHEMBL1632803 0.81 FGFR4 (0.47) MAPK10IKBKBJUNMAPK8JAK2
SCHEMBL1632806 0.81 FGFR4 (0.47) MAPK10IKBKBJUNMAPK8JAK2
SCHEMBL1635106 0.81 FGFR4 (0.47) MAPK10IKBKBJUNMAPK8JAK2
SCHEMBL1631911 0.79 MAPK10 (0.55) MAPK10IKBKBJUNCA1CA2

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-20100048561-A1 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) 2010-02-25 — — 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-20100048561-A1 QUINAZOLINES FOR PDK1 INHIBITION PDK1, PDK2, PDK3 MAPK10 402/4885IKBKB 980/4885JUN 544/4885

“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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