SCHEMBL3537310

SCHEMBL3537310

COc1ccc(-c2nn3ccccc3c2-c2ccnc(Nc3ccc4c(c3)CN(C)CC4)n2)cc1NC(=O)Cc1cccs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.48
EGFR P00533 1/20 0.48
ERBB2 P04626 1/20 0.48
KDR P35968 2/20 0.46
AURKB Q96GD4 2/20 0.46
AURKA O14965 1/20 0.46
CDK19 Q9BWU1 1/20 0.46
SLC2A1 P11166 4/20 0.43
BRAF P15056 6/20 0.42
LCK P06239 2/20 0.42
CSF1R P07333 1/20 0.42
RET P07949 1/20 0.42
FLT1 P17948 1/20 0.42
PTK2 Q05397 1/20 0.42
STK3 Q13188 1/20 0.42
MAP4K5 Q9Y4K4 1/20 0.42
ABCB1 P08183 2/20 0.41
IKBKB O14920 1/20 0.41
ACVR1 Q04771 1/20 0.41
MAPK8 P45983 2/20 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
SCHEMBL3537602 0.92 EGFR (0.49) IGF1REGFRERBB2KDRAURKB
SCHEMBL3546202 0.92 AURKA (0.51) IGF1REGFRERBB2KDRAURKB
SCHEMBL3538140 0.89 EGFR (0.60) IGF1REGFRERBB2KDRAURKB
SCHEMBL3546629 0.88 SLC2A1 (0.44) IGF1REGFRKDRAURKBAURKA
SCHEMBL14515550 0.83 SLC2A1 (0.46) IGF1RKDRAURKBAURKACDK19
SCHEMBL3537903 0.83 INSR (0.51) IGF1REGFRERBB2KDRAURKB
SCHEMBL3537938 0.82 MEN1 (0.47)
SCHEMBL13118784 0.81 KDR (0.60) IGF1REGFRERBB2KDRAURKB
SCHEMBL13140688 0.81 AURKA (0.55) IGF1REGFRERBB2KDRAURKB
SCHEMBL3540532 0.81 EGFR (0.55) IGF1REGFRERBB2KDRAURKB

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 8 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
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 245/4885EGFR 4/4885ERBB2 1/4885

“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.