SCHEMBL1633096

SCHEMBL1633096

COCCn1cc(-c2ccc3cnc(Nc4ccc(C(=O)N5CCOCC5)cc4)nc3c2)cn1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 5/20 0.53
▸ MAPK10 P53779 2/20 0.53
▸ JUN P05412 1/20 0.50
▸ MAPK8 P45983 1/20 0.50
▸ MAPK9 P45984 1/20 0.50
▸ TTK P33981 2/20 0.49
▸ LRRK2 Q5S007 4/20 0.48
▸ JAK2 O60674 2/20 0.48
▸ MAP4K3 Q8IVH8 1/20 0.46
▸ BRAF P15056 3/20 0.44
▸ PTK2 Q05397 1/20 0.43
▸ RAF1 P04049 1/20 0.43
▸ NTRK1 P04629 1/20 0.43
▸ SYK P43405 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
SCHEMBL1633645 0.90 MAP4K1 (0.62) MAP4K1MAPK10JUNMAPK8MAPK9
SCHEMBL1634125 0.90 MAP4K1 (0.53) MAP4K1MAPK10JUNMAPK8MAPK9
SCHEMBL1632340 0.79 MAPK10 (0.63) MAP4K1MAPK10JUNMAPK8TTK
SCHEMBL12725565 0.78 MAPK10 (0.65) MAP4K1MAPK10JUNMAPK8MAPK9
SCHEMBL1633843 0.77 MAPK10 (0.54) MAP4K1MAPK10TTKLRRK2JAK2
SCHEMBL25820475 0.74 LRRK2 (0.68) LRRK2
SCHEMBL13498362 0.74 MAPK10 (0.60) MAP4K1MAPK10JUNMAPK8MAPK9
SCHEMBL1633178 0.73 MAPK10 (0.62) MAP4K1MAPK10JUNMAPK8MAPK9
SCHEMBL1633371 0.73 LRRK2 (0.54) MAP4K1MAPK10LRRK2JAK2SYK
SCHEMBL12724469 0.73 LRRK2 (0.51) MAP4K1MAPK10LRRK2JAK2PTK2

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 MAP4K1 48/4885MAPK10 402/4885JUN 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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