SCHEMBL1633645

SCHEMBL1633645

O=C(c1ccc(Nc2ncc3ccc(-c4cnn(CCO)c4)cc3n2)cc1)N1CCOCC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 5/20 0.62
▸ MAPK10 P53779 2/20 0.53
▸ JUN P05412 1/20 0.51
▸ MAPK8 P45983 1/20 0.51
▸ MAPK9 P45984 1/20 0.51
▸ JAK2 O60674 2/20 0.49
▸ LRRK2 Q5S007 1/20 0.49
▸ MAP4K3 Q8IVH8 1/20 0.47
▸ NTRK1 P04629 1/20 0.45
▸ CCNA2 P20248 2/20 0.45
▸ CDK2 P24941 2/20 0.45
▸ CCNT1 O60563 1/20 0.45
▸ CDK1 P06493 1/20 0.45
▸ CDK4 P11802 1/20 0.45
▸ CCND1 P24385 1/20 0.45
▸ CCNE1 P24864 1/20 0.45
▸ CCND3 P30281 1/20 0.45
▸ CDK9 P50750 1/20 0.45
▸ CDK3 Q00526 1/20 0.45
▸ CDK6 Q00534 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
SCHEMBL1634125 0.93 MAP4K1 (0.53) MAP4K1MAPK10JUNMAPK8MAPK9
SCHEMBL1633096 0.90 MAP4K1 (0.53) MAP4K1MAPK10JUNMAPK8MAPK9
SCHEMBL1632340 0.80 MAPK10 (0.63) MAP4K1MAPK10JUNMAPK8JAK2
SCHEMBL1633843 0.79 MAPK10 (0.54) MAP4K1MAPK10JAK2LRRK2NTRK1
SCHEMBL12725565 0.78 MAPK10 (0.65) MAP4K1MAPK10JUNMAPK8MAPK9
SCHEMBL1633089 0.78 LRRK2 (0.52) MAPK10JAK2LRRK2NTRK1CCNA2
SCHEMBL13498362 0.75 MAPK10 (0.60) MAP4K1MAPK10JUNMAPK8MAPK9
SCHEMBL1633371 0.74 LRRK2 (0.54) MAP4K1MAPK10JAK2LRRK2CCNA2
SCHEMBL1633178 0.74 MAPK10 (0.62) MAP4K1MAPK10JUNMAPK8MAPK9
SCHEMBL12724469 0.74 LRRK2 (0.51) MAP4K1MAPK10JAK2LRRK2NTRK1

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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