SCHEMBL3537500

SCHEMBL3537500

COc1ccc(-c2nn3ccccc3c2-c2ccnc(Nc3cc(OCCN(C)C)ccc3C)n2)cc1NC(=O)Cc1cccs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.46
ERBB2 P04626 1/20 0.46
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ABL1 P00519 3/20 0.42
BCR P11274 2/20 0.42
SLC2A1 P11166 2/20 0.42
IGF1R P08069 2/20 0.42
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
PAK4 O96013 1/20 0.42
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42
CSF1R P07333 1/20 0.42
RET P07949 1/20 0.42
MET P08581 1/20 0.42
ROS1 P08922 1/20 0.42
FLT1 P17948 1/20 0.42

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 0.95 EGFR (0.49) EGFRERBB2MEN1KMT2APOLB
SCHEMBL3536948 0.92 EGFR (0.51) EGFRERBB2MEN1KMT2ASLC2A1
SCHEMBL3537903 0.92 INSR (0.51) EGFRERBB2ABL1BCRSLC2A1
SCHEMBL3536782 0.91 SLC2A1 (0.45) EGFRMEN1KMT2APOLBL3MBTL1
SCHEMBL3540212 0.89 SLC2A1 (0.46) EGFRERBB2SLC2A1IGF1RCSF1R
SCHEMBL4706299 0.84 EGFR (0.44) EGFRERBB2ABL1BCRSLC2A1
SCHEMBL3541331 0.84 IGF1R (0.52) EGFRERBB2SLC2A1IGF1RCSF1R
SCHEMBL14515550 0.84 SLC2A1 (0.46) MEN1KMT2APOLBL3MBTL1ABL1
SCHEMBL3540687 0.84 SLC2A1 (0.47) EGFRERBB2ABL1SLC2A1IGF1R
SCHEMBL3540612 0.82 SLC2A1 (0.53) EGFRERBB2ABL1SLC2A1IGF1R

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 16 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-7807673-B2 2-pyrimidinyl pyrazolopyridine ErbB kinase inhibitors GLAXOSMITHKLINE LLC (US) 2010-10-05 US 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
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-7723325-B2 5-amido-indole-2-carboxamide derivatives HOFFMAN-LA ROCHE INC. (US) 2010-05-25 US disclosed
US-20090264418-A1 5-AMIDO-INDOLE-2-CARBOXAMIDE DERIVATIVES NETTEKOVEN MATTHIAS 2009-10-22 US disclosed
US-7601711-B2 Such as [5-(4-cyclopentyl-piperazine-1-carbonyl)-1H-indol-2-yl]-morpholin-4-yl-methanone; histamine H3-antagonists HOFFMANN-LA ROCHE INC. (US) 2009-10-13 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
US-20070244125-A1 5-amido-indole-2-carboxamide derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-10-18 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 (3 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-20090264418-A1 5-AMIDO-INDOLE-2-CARBOXAMIDE DERIVATIVES HRH4, HRH3, CNR2 EGFR 574/4885ERBB2 444/4885MEN1 1757/4885
US-20090149456-A1 2-Pyrimidinyl Pyrazolopyridine ErbB Kinase Inhibitors ERBB2, ERBB3, ERBB4 EGFR 4/4885ERBB2 1/4885MEN1 3489/4885
US-20070244125-A1 5-amido-indole-2-carboxamide derivatives HRH4, HRH3, CNR2 EGFR 574/4885ERBB2 444/4885MEN1 1757/4885

“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.