SCHEMBL1572430

SCHEMBL1572430

C#Cc1ccc2nc(Nc3cc(OCCNC(=O)C(C)NC(=O)OC(C)(C)C)cc(-c4cnn(C)c4)c3)ncc2c1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 1/20 0.37
▸ DYRK1A Q13627 1/20 0.37
▸ DDR2 Q16832 9/20 0.36
▸ BRAF P15056 4/20 0.33
▸ ITK Q08881 3/20 0.33
▸ EGFR P00533 2/20 0.33
▸ RAF1 P04049 1/20 0.33
▸ HRH2 P25021 2/20 0.33
▸ HRH1 P35367 2/20 0.33

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
SCHEMBL1572431 1.00 GSK3B (0.37) GSK3BDYRK1ADDR2BRAFITK
SCHEMBL1573257 0.92 GSK3B (0.35) GSK3BDYRK1ADDR2BRAFITK
SCHEMBL1573258 0.92 GSK3B (0.35) GSK3BDYRK1ADDR2BRAFITK
SCHEMBL3504727 0.91 BRAF (0.37) DDR2BRAFEGFRRAF1
SCHEMBL1867129 0.91 GSK3B (0.35) GSK3BDYRK1ADDR2BRAFITK
SCHEMBL1867131 0.91 GSK3B (0.35) GSK3BDYRK1ADDR2BRAFITK
SCHEMBL1570912 0.88 BRAF (0.36) DDR2BRAFEGFRRAF1
SCHEMBL1570909 0.88 BRAF (0.36) DDR2BRAFEGFRRAF1
SCHEMBL1872111 0.87 BRAF (0.36) DDR2BRAFEGFRRAF1
SCHEMBL1571553 0.87 BRAF (0.36) DDR2BRAFEGFRRAF1

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 5 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-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

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 GSK3B 406/4885DYRK1A 748/4885DDR2 1418/4885
US-20100121052-A1 Novel compounds for treating proliferative diseases PDK1, PDK2, PDK3 GSK3B 340/4885DYRK1A 1286/4885DDR2 1558/4885

“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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