SCHEMBL3539052

SCHEMBL3539052

O=C(Cc1cccs1)Nc1cccc(-c2nn3cc(F)ccc3c2-c2ccnc(Cl)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
KMT2A Q03164 9/20 0.46
MEN1 O00255 8/20 0.46
POLB P06746 5/20 0.46
RECQL P46063 1/20 0.46
KDM4E B2RXH2 7/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
PIK3C2B O00750 1/20 0.43
EGFR P00533 1/20 0.43
HTT P42858 4/20 0.42
HPGD P15428 3/20 0.42
MAPT P10636 2/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
NPSR1 Q6W5P4 2/20 0.42
ESR1 P03372 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SLC2A1 P11166 1/20 0.40
TTK P33981 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
SCHEMBL3537688 0.92 KMT2A (0.49) ALDH1A1KMT2AMEN1POLBRECQL
SCHEMBL3539797 0.89 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1POLBRECQL
SCHEMBL3542413 0.89 SLC2A1 (0.47) ALDH1A1KMT2AMEN1POLBRECQL
SCHEMBL3542743 0.85 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1POLBRECQL
SCHEMBL3539635 0.83 IGF1R (0.47) KMT2AMEN1POLBRECQLEGFR
SCHEMBL3442491 0.82 SLC2A1 (0.42) MAPTRAB9ANPC1SLC2A1
SCHEMBL3540532 0.82 EGFR (0.55) EGFRSLC2A1BRAF
SCHEMBL3441896 0.81 SLC2A1 (0.55) EGFRMAPTRAB9ASLC2A1BRAF
SCHEMBL3539614 0.80 SLC2A1 (0.57) ALDH1A1KMT2AMEN1POLBRECQL
SCHEMBL3538136 0.79 MEN1 (0.42) ALDH1A1KMT2AMEN1POLBKDM4E

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 9 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
EP-1971606-A2 2-PYRIMIDINYL PYRAZOLOPYRIDINE ERBB KINASE INHIBITORS SmithKline Beecham Corporation (US) 2008-09-24 EP 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 ALDH1A1 3388/4885KMT2A 2866/4885MEN1 3489/4885

“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.