SCHEMBL3540576

SCHEMBL3540576

Cc1ccc(-c2nn3ccccc3c2-c2ccnc(Cl)n2)cc1NC(=O)Cc1cccs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.49
KMT2A Q03164 9/20 0.49
ALDH1A1 P00352 5/20 0.49
HPGD P15428 5/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
POLB P06746 9/20 0.46
KDM4E B2RXH2 3/20 0.42
MAPT P10636 2/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 3/20 0.40
THRB P10828 2/20 0.39
RECQL P46063 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
ESR2 Q92731 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
SLC2A1 P11166 1/20 0.38
ESR1 P03372 1/20 0.37

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
SCHEMBL3538136 0.91 MEN1 (0.42) MEN1KMT2AALDH1A1HPGDCYP1A2
SCHEMBL3537938 0.90 MEN1 (0.47) MEN1KMT2AALDH1A1HPGDCYP1A2
SCHEMBL3539797 0.87 ALDH1A1 (0.48) MEN1KMT2AALDH1A1HPGDPOLB
SCHEMBL3544183 0.83 EGFR (0.49) MEN1KMT2AALDH1A1HPGDCYP1A2
SCHEMBL3540125 0.82 SLC2A1 (0.41) MAPTRAB9ALMNATP53SMN1; SMN2
SCHEMBL3537295 0.81 SLC2A1 (0.45) SLC2A1
SCHEMBL3537602 0.81 EGFR (0.49) MEN1KMT2AALDH1A1HPGDCYP1A2
SCHEMBL3540212 0.81 SLC2A1 (0.46) SLC2A1
SCHEMBL3537688 0.79 KMT2A (0.49) MEN1KMT2AALDH1A1HPGDCYP1A2
SCHEMBL3536948 0.79 EGFR (0.51) MEN1KMT2AALDH1A1HPGDCYP1A2

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 10 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
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 MEN1 3489/4885KMT2A 2866/4885ALDH1A1 3388/4885

“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.