SCHEMBL285565

SCHEMBL285565

O=C(O)c1ccnc2c1cnn2C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.42
RAB9A P51151 4/20 0.42
KDM4A O75164 2/20 0.42
EGLN1 Q9GZT9 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
HIF1AN Q9NWT6 1/20 0.42
PSMD14 O00487 1/20 0.38
KDM4C Q9H3R0 5/20 0.37
NPC1 O15118 3/20 0.37
TP53 P04637 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MAP2K1 Q02750 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
KDM5B Q9UGL1 2/20 0.36
KDM6B O15054 2/20 0.36
KDM6A O15550 1/20 0.36
TET3 O43151 1/20 0.36
KDM4B O94953 1/20 0.36
KDM5C P41229 1/20 0.36

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
SCHEMBL285234 0.89 MAP2K1 (0.46) KDM4ERAB9AL3MBTL1NPC1TP53
SCHEMBL5956817 0.78 NCF1 (0.39) KDM4ERAB9ANPC1TP53SMN1; SMN2
SCHEMBL285259 0.78 CYP17A1 (0.35) KDM4ERAB9ANPC1TP53SMN1; SMN2
SCHEMBL21816207 0.73 KDM5A (0.46) KDM4ERAB9AKDM4AEGLN1L3MBTL1
SCHEMBL1957135 0.71 HTT (0.43) KDM4EL3MBTL1ALDH1A1POLBMAPT
SCHEMBL293663 0.70 AURKA (0.44)
SCHEMBL30668855 0.70 KDM4E (0.54) KDM4ERAB9ANPC1TP53SMN1; SMN2
SCHEMBL12499171 0.70 KDM4E (0.58) KDM4ERAB9AKDM4AEGLN1L3MBTL1
SCHEMBL293085 0.69 LIPE (0.32)
SCHEMBL14894644 0.69 XDH (0.49) KDM4ERAB9AKDM4AEGLN1L3MBTL1

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 KDM4E 1638/4885RAB9A 1947/4885KDM4A 2177/4885

“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.