SCHEMBL1634634

SCHEMBL1634634

COCCNc1ccc(-c2cccc3cnc(Nc4ccc(S(N)(=O)=O)cc4)nc23)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 4/20 0.48
CA2 P00918 5/20 0.43
CA1 P00915 3/20 0.43
CA9 Q16790 3/20 0.43
CA4 P22748 1/20 0.43
IKBKB O14920 5/20 0.43
CA12 O43570 1/20 0.42
CA14 Q9ULX7 1/20 0.42
JUN P05412 1/20 0.42
EGFR P00533 1/20 0.42
NTRK1 P04629 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PTK2 Q05397 1/20 0.41
BRAF P15056 1/20 0.41
PIK3CD O00329 1/20 0.41
AURKA O14965 1/20 0.41
DCLK1 O15075 1/20 0.41
PIK3C2G O75747 1/20 0.41
PIK3CG P48736 1/20 0.41

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
SCHEMBL13498354 0.88 MAPK10 (0.49) MAPK10CA2CA1CA9CA4
SCHEMBL1633507 0.88 NTRK1 (0.44) MAPK10CA2CA1CA9CA4
SCHEMBL1633528 0.88 CDK2 (0.46) MAPK10CA2CA1CA9IKBKB
SCHEMBL1633211 0.87 MAPK10 (0.48) MAPK10CA2CA1CA9CA4
SCHEMBL1632848 0.86 CA2 (0.56) MAPK10CA2CA1CA9CA4
SCHEMBL1633245 0.85 MAPK10 (0.46) MAPK10CA2CA1CA9CA4
SCHEMBL1633149 0.83 CA1 (0.48) MAPK10CA2CA1CA9CA4
SCHEMBL1633475 0.82 MAPK10 (0.53) MAPK10CA2CA1CA9CA4
SCHEMBL1634792 0.82 MAPK10 (0.43) MAPK10CA2CA1CA9CA4
SCHEMBL1633121 0.81 MAPK10 (0.52) MAPK10CA2CA1CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7932262-B2 Quinazolines for PDK1 inhibition NOVARTIS AG (CH) 2011-04-26 US disclosed
US-7932262-B2 Quinazolines for PDK1 inhibition NOVARTIS AG (CH) 2011-04-26 US disclosed
US-7932262-B2 Quinazolines for PDK1 inhibition NOVARTIS AG (CH) 2011-04-26 US disclosed
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 402/4885CA2 3577/4885CA1 4702/4885

“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.