SCHEMBL3537688

SCHEMBL3537688

Cc1ccc2c(-c3ccnc(Cl)n3)c(-c3cccc(NC(=O)Cc4cccs4)c3)nn2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 11/20 0.49
MEN1 O00255 9/20 0.49
POLB P06746 5/20 0.49
RECQL P46063 2/20 0.49
KDM4E B2RXH2 8/20 0.48
HTT P42858 4/20 0.48
HPGD P15428 5/20 0.47
MAPT P10636 4/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 5/20 0.46
PIK3C2B O00750 1/20 0.44
EGFR P00533 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.42
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
ESR1 P03372 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ANO1 Q5XXA6 1/20 0.41
XBP1 P17861 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
SCHEMBL3539052 0.92 ALDH1A1 (0.47) KMT2AMEN1POLBRECQLKDM4E
SCHEMBL3539797 0.88 ALDH1A1 (0.48) KMT2AMEN1POLBRECQLKDM4E
SCHEMBL3535975 0.83 IGF1R (0.46) KMT2AMEN1POLBRECQLKDM4E
SCHEMBL3541069 0.82 IGF1R (0.46) KMT2AMEN1POLBRECQLKDM4E
SCHEMBL3542743 0.82 ALDH1A1 (0.46) KMT2AMEN1POLBRECQLKDM4E
SCHEMBL3541915 0.82 GSK3B (0.42) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL3538022 0.82 IGF1R (0.49) EGFR
SCHEMBL3542413 0.81 SLC2A1 (0.47) KMT2AMEN1POLBRECQLKDM4E
SCHEMBL1640655 0.79 KMT2A (0.51) KMT2AMEN1POLBRECQLKDM4E
SCHEMBL3540576 0.79 MEN1 (0.49) KMT2AMEN1POLBRECQLKDM4E

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 KMT2A 2866/4885MEN1 3489/4885POLB 1854/4885

“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.