SCHEMBL1866091

SCHEMBL1866091

C#Cc1ccc2nc(Nc3cc(F)cc4[nH]ncc34)ncc2c1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ RPS6KB1 P23443 10/20 0.38
▸ METAP2 P50579 1/20 0.36
▸ RAF1 P04049 4/20 0.35
▸ BRAF P15056 4/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ IDO1 P14902 2/20 0.34
▸ CDC7 O00311 2/20 0.34

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
SCHEMBL1867352 0.88 IDO1 (0.39) RPS6KB1METAP2RAF1BRAFIDO1
SCHEMBL1868898 0.70 BRAF (0.45) RPS6KB1BRAF
SCHEMBL12671573 0.69 HDAC3 (0.39) BRAF
SCHEMBL30860884 0.68 LRRK2 (0.52) —
SCHEMBL27228476 0.68 LRRK2 (0.52) —
SCHEMBL1863994 0.64 AURKA (0.47) RAF1BRAF
SCHEMBL1571737 0.64 CA2 (0.52) RPS6KB1
SCHEMBL3503249 0.64 MAP3K5 (0.57) BRAFABL1
SCHEMBL1519704 0.64 ROCK2 (0.53) METAP2IDO1
SCHEMBL12671538 0.63 BRAF (0.50) BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008079988-A9 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS AG (CH) 2011-05-12 — — WO claimed
US-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION AIKAWA MINA 2010-08-26 — — US claimed
CN-101652352-A Quinazolines for PDK1 inhibition NOVARTIS VACCINES & DIAGNOSTIC 2010-02-17 — — CN claimed
WO-2008079988-A9 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS AG (CH) 2011-05-12 — — WO disclosed
US-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION AIKAWA MINA 2010-08-26 — — US disclosed
US-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION AIKAWA MINA 2010-08-26 — — US disclosed
US-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION AIKAWA MINA 2010-08-26 — — US disclosed
US-20100121052-A1 Novel compounds for treating proliferative diseases JAIN RAMA 2010-05-13 — — US disclosed
WO-2008079988-A2 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS AG (CH) 2008-07-03 — — WO 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 (2 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-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION PDK1, PDK2, PDK3 RPS6KB1 314/4885METAP2 4627/4885RAF1 143/4885
US-20100121052-A1 Novel compounds for treating proliferative diseases PDK1, PDK2, PDK3 RPS6KB1 203/4885METAP2 4547/4885RAF1 215/4885

“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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