SCHEMBL3536948

SCHEMBL3536948

Cc1ccc(OCCN(C)C)cc1Nc1nccc(-c2c(-c3ccc(F)c(NC(=O)Cc4cccs4)c3)nn3ccccc23)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.51
ERBB2 P04626 2/20 0.51
SLC2A1 P11166 4/20 0.43
IGF1R P08069 8/20 0.43
MAPK8 P45983 3/20 0.40
MAPK9 P45984 3/20 0.40
INSR P06213 1/20 0.40
MAPK10 P53779 1/20 0.40
KDR P35968 2/20 0.38
AURKA O14965 1/20 0.38
AURKB Q96GD4 1/20 0.38
CDK19 Q9BWU1 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
CSF1R P07333 1/20 0.37
RET P07949 1/20 0.37

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
SCHEMBL3544183 0.96 EGFR (0.49) EGFRERBB2SLC2A1IGF1RMAPK8
SCHEMBL3537500 0.92 EGFR (0.46) EGFRERBB2SLC2A1IGF1RMAPK8
SCHEMBL3541331 0.92 IGF1R (0.52) EGFRERBB2SLC2A1IGF1RMAPK8
SCHEMBL3540687 0.91 SLC2A1 (0.47) EGFRERBB2SLC2A1IGF1RMAPK8
SCHEMBL3540212 0.90 SLC2A1 (0.46) EGFRERBB2SLC2A1IGF1RMAPK8
SCHEMBL3537903 0.84 INSR (0.51) EGFRERBB2SLC2A1IGF1RMAPK8
SCHEMBL3543778 0.84 SLC2A1 (0.51) EGFRERBB2SLC2A1IGF1RMAPK8
SCHEMBL3536782 0.83 SLC2A1 (0.45) EGFRSLC2A1IGF1RMAPK8MAPK9
SCHEMBL3540612 0.83 SLC2A1 (0.53) EGFRERBB2SLC2A1IGF1RMAPK8
SCHEMBL3545165 0.81 SLC2A1 (0.56) EGFRERBB2SLC2A1IGF1RMAPK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971606-B1 2-PYRIMIDINYL PYRAZOLOPYRIDINE ERBB KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-04-24 EP claimed
US-20090149456-A1 2-Pyrimidinyl Pyrazolopyridine ErbB Kinase Inhibitors GLAXOSMITHKLINE LLC 2009-06-11 US claimed
EP-1971606-B1 2-PYRIMIDINYL PYRAZOLOPYRIDINE ERBB KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-04-24 EP disclosed
US-7807673-B2 2-pyrimidinyl pyrazolopyridine ErbB kinase inhibitors GLAXOSMITHKLINE LLC (US) 2010-10-05 US disclosed
US-7807673-B2 2-pyrimidinyl pyrazolopyridine ErbB kinase inhibitors GLAXOSMITHKLINE LLC (US) 2010-10-05 US disclosed
US-7807673-B2 2-pyrimidinyl pyrazolopyridine ErbB kinase inhibitors GLAXOSMITHKLINE LLC (US) 2010-10-05 US disclosed
US-20090149456-A1 2-Pyrimidinyl Pyrazolopyridine ErbB Kinase Inhibitors GLAXOSMITHKLINE LLC 2009-06-11 US disclosed
US-20090149456-A1 2-Pyrimidinyl Pyrazolopyridine ErbB Kinase Inhibitors GLAXOSMITHKLINE LLC 2009-06-11 US disclosed
US-20090149456-A1 2-Pyrimidinyl Pyrazolopyridine ErbB Kinase Inhibitors GLAXOSMITHKLINE LLC 2009-06-11 US disclosed
WO-2007067506-A2 2-PYRIMIDINYL PYRAZOLOPYRIDINE ERBB KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-06-14 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-20090149456-A1 2-Pyrimidinyl Pyrazolopyridine ErbB Kinase Inhibitors ERBB2, ERBB3, ERBB4 EGFR 4/4885ERBB2 1/4885SLC2A1 3810/4885

“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.