SCHEMBL285234

SCHEMBL285234

NC(=O)c1ccnc2c1cnn2C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
DYRK1B Q9Y463 1/20 0.46
KDM4E B2RXH2 5/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
SLC40A1 Q9NP59 1/20 0.39
IRAK4 Q9NWZ3 3/20 0.37
RIPK2 O43353 1/20 0.37
TLR8 Q9NR97 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PDE4B Q07343 1/20 0.34
MAPK8 P45983 1/20 0.34
MAPK10 P53779 1/20 0.34

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
SCHEMBL285565 0.89 KDM4E (0.42) MAP2K1CLK4DYRK1BKDM4EL3MBTL1
SCHEMBL285075 0.87 MAP2K1 (0.35) MAP2K1CLK4DYRK1BKDM4ENPC1
SCHEMBL285259 0.79 CYP17A1 (0.35) MAP2K1CLK4DYRK1BKDM4EALDH1A1
SCHEMBL5956817 0.79 NCF1 (0.39) MAP2K1CLK4DYRK1BKDM4EALDH1A1
SCHEMBL12970713 0.73 CTNNB1 (0.46) MAP2K1CLK4DYRK1BKDM4EIRAK4
SCHEMBL1695067 0.70 EZH2 (0.50) MAP2K1CLK4DYRK1BKDM4EL3MBTL1
SCHEMBL293663 0.68 AURKA (0.44) PIM1
SCHEMBL30668855 0.68 KDM4E (0.54) KDM4EALDH1A1NPC1TP53RAB9A
SCHEMBL293085 0.68 LIPE (0.32)
SCHEMBL12499715 0.66 KDM4E (0.40) MAP2K1CLK4DYRK1BKDM4EL3MBTL1

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
US-8541445-B2 Pyrazolopyridines VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-24 US disclosed
US-8541445-B2 Pyrazolopyridines VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-24 US disclosed
US-8541445-B2 Pyrazolopyridines VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-24 US disclosed
US-20120178778-A1 PYRAZOLOPYRIDINES VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-12 US disclosed
US-20120178778-A1 PYRAZOLOPYRIDINES VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-12 US disclosed
US-20120178778-A1 PYRAZOLOPYRIDINES VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-12 US disclosed
EP-2427464-A1 PYRAZOLOPYRIDINES Vertex Pharmaceuticals Incorporated (US) 2012-03-14 EP disclosed
WO-2010129668-A1 PYRAZOLOPYRIDINES VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-11 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-20120178778-A1 PYRAZOLOPYRIDINES MAP3K5, MAP4K5, MAP3K20 MAP2K1 328/4885CLK4 324/4885DYRK1B 759/4885

“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.