SCHEMBL3539635

SCHEMBL3539635

CN(C)CCOc1cccc(Nc2nccc(-c3c(-c4cccc(NC(=O)Cc5cccs5)c4)nn4cc(F)ccc34)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 9/20 0.47
SLC2A1 P11166 3/20 0.46
EGFR P00533 3/20 0.46
ERBB2 P04626 3/20 0.46
CDK19 Q9BWU1 2/20 0.46
PTK2 Q05397 1/20 0.46
INSR P06213 1/20 0.43
MAPK8 P45983 2/20 0.42
MAPK9 P45984 2/20 0.42
MAPK10 P53779 1/20 0.41
IKBKB O14920 1/20 0.41
AURKA O14965 1/20 0.41
KDR P35968 1/20 0.41
AURKB Q96GD4 1/20 0.41
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
RECQL P46063 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL3541069 0.94 IGF1R (0.46) IGF1RSLC2A1EGFRERBB2CDK19
SCHEMBL3540612 0.91 SLC2A1 (0.53) IGF1RSLC2A1EGFRERBB2CDK19
SCHEMBL3542413 0.89 SLC2A1 (0.47) IGF1RSLC2A1EGFRERBB2CDK19
SCHEMBL3545165 0.89 SLC2A1 (0.56) IGF1RSLC2A1EGFRERBB2CDK19
SCHEMBL3546594 0.88 IGF1R (0.52) IGF1RSLC2A1EGFRERBB2CDK19
SCHEMBL3442173 0.86 SLC2A1 (0.61) IGF1RSLC2A1EGFRERBB2CDK19
SCHEMBL3541331 0.86 IGF1R (0.52) IGF1RSLC2A1EGFRERBB2CDK19
SCHEMBL3542767 0.85 SLC2A1 (0.59) IGF1RSLC2A1EGFRERBB2CDK19
SCHEMBL3540212 0.84 SLC2A1 (0.46) IGF1RSLC2A1EGFRERBB2CDK19
SCHEMBL1640319 0.83 IGF1R (0.49) IGF1REGFRERBB2CDK19PTK2

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 7 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 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

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 IGF1R 245/4885SLC2A1 3810/4885EGFR 4/4885

“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.