SCHEMBL3025007

SCHEMBL3025007

Nc1ncc2cc(-c3ccncc3)ccc2n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 3/20 0.55
KDR P35968 2/20 0.55
JAK3 P52333 1/20 0.55
MAPK14 Q16539 1/20 0.55
DYRK1A Q13627 2/20 0.54
CLK1 P49759 2/20 0.54
CSNK1D P48730 1/20 0.54
CSNK1E P49674 1/20 0.54
MAP4K4 O95819 2/20 0.53
CDK8 P49336 1/20 0.53
CLK2 P49760 1/20 0.53
CDK7 P50613 1/20 0.53
CDK9 P50750 1/20 0.53
CDK5 Q00535 1/20 0.53
ACVR1 Q04771 1/20 0.53
ROCK1 Q13464 1/20 0.53
LRRK2 Q5S007 1/20 0.53
CLK4 Q9HAZ1 1/20 0.53
DYRK1B Q9Y463 1/20 0.53
PIK3CD O00329 2/20 0.49

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
SCHEMBL5132808 0.91 KDR (0.48) LCKKDRJAK3MAPK14DYRK1A
SCHEMBL5494272 0.86 LCK (0.58) LCKKDRJAK3MAPK14DYRK1A
SCHEMBL12928153 0.84 PIK3CA (0.60) LCKKDRJAK3MAPK14DYRK1A
SCHEMBL2741576 0.84 LCK (0.65) LCKKDRJAK3MAPK14MAP4K4
SCHEMBL12575879 0.83 LCK (0.55) LCKKDRJAK3MAPK14DYRK1A
SCHEMBL24335889 0.82 PIK3CA (0.55) LCKKDRJAK3MAPK14DYRK1A
SCHEMBL4733367 0.79 LCK (0.70) LCKKDRJAK3MAPK14DYRK1A
SCHEMBL30494215 0.79 LCK (0.70) LCKKDRJAK3MAPK14DYRK1A
SCHEMBL5488838 0.78 MAP4K4 (0.61) LCKKDRJAK3MAPK14MAP4K4
SCHEMBL12575968 0.76 SRC (0.61) LCKKDRJAK3MAPK14MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100216791-A1 PYRIDINYLQUINAZOLINAMINE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS ASTRAZENECA (SE) 2010-08-26 US disclosed
US-20100216791-A1 PYRIDINYLQUINAZOLINAMINE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS ASTRAZENECA (SE) 2010-08-26 US disclosed
WO-2008020203-A1 PYRIDINYLQUINAZ0LINAMINE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS ASTRAZENECA AB (SE) 2008-02-21 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 (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-20100216791-A1 PYRIDINYLQUINAZOLINAMINE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS BRAF, RAF1, ARAF LCK 105/4885KDR 413/4885JAK3 353/4885

“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.