SCHEMBL1571553

SCHEMBL1571553

C#Cc1ccc2nc(Nc3cc(OCCNC(=O)[C@@H](C)N(C)C)cc(-c4cnn(C)c4)c3)ncc2c1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 10/20 0.36
▸ DDR2 Q16832 5/20 0.36
▸ CHEK1 O14757 3/20 0.35
▸ RAF1 P04049 1/20 0.35
▸ EGFR P00533 1/20 0.34
▸ ERBB2 P04626 1/20 0.34
▸ ERBB4 Q15303 1/20 0.34
▸ MAP4K3 Q8IVH8 1/20 0.34
▸ MAP4K1 Q92918 1/20 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
SCHEMBL1872111 1.00 BRAF (0.36) BRAFDDR2CHEK1RAF1EGFR
SCHEMBL1570909 0.91 BRAF (0.36) BRAFDDR2RAF1EGFRERBB2
SCHEMBL1570912 0.91 BRAF (0.36) BRAFDDR2RAF1EGFRERBB2
SCHEMBL3504727 0.90 BRAF (0.37) BRAFDDR2RAF1EGFRERBB2
SCHEMBL1571076 0.89 PDK2 (0.41) BRAFDDR2RAF1EGFRERBB2
SCHEMBL1571454 0.87 BRAF (0.46) BRAFDDR2RAF1
SCHEMBL1572430 0.87 GSK3B (0.37) BRAFDDR2RAF1EGFR
SCHEMBL1572431 0.87 GSK3B (0.37) BRAFDDR2RAF1EGFR
SCHEMBL13336194 0.85 MAP4K1 (0.41) BRAFCHEK1EGFRERBB2ERBB4
SCHEMBL1573464 0.84 MAP4K1 (0.38) BRAFCHEK1EGFRERBB2ERBB4

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 11 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 disclosed
EP-2307385-A1 2 -ARYLAMINOQUINAZOLINES FOR TREATING PROLIFERATIVE DISEASES Novartis AG (CH) 2011-04-13 — — EP 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
US-20100121052-A1 Novel compounds for treating proliferative diseases JAIN RAMA 2010-05-13 — — US disclosed
US-20100121052-A1 Novel compounds for treating proliferative diseases JAIN RAMA 2010-05-13 — — US disclosed
WO-2009153313-A1 2 -ARYLAMINOQUINAZOLINES FOR TREATING PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2009-12-23 — — WO disclosed
EP-2125755-A2 QUINAZOLINES FOR PDK1 INHIBITION Novartis Ag (CH) 2009-12-02 — — EP 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 BRAF 316/4885DDR2 1418/4885CHEK1 163/4885
US-20100121052-A1 Novel compounds for treating proliferative diseases PDK1, PDK2, PDK3 BRAF 208/4885DDR2 1558/4885CHEK1 320/4885

“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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