SCHEMBL2856871

SCHEMBL2856871

NC(=O)c1cccc(-c2nn[nH]n2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 1/20 0.60
GP6 Q9HCN6 1/20 0.58
MAPT P10636 1/20 0.57
IDO1 P14902 1/20 0.57
ALDH1A1 P00352 2/20 0.55
PIK3CD O00329 1/20 0.50
PIK3CA P42336 1/20 0.50
PIK3CB P42338 1/20 0.50
PIK3CG P48736 1/20 0.50
NPC1 O15118 1/20 0.49
CLK1 P49759 1/20 0.49
RAB9A P51151 1/20 0.49
PARP1 P09874 1/20 0.49
KDM4D Q6B0I6 1/20 0.48
XDH P47989 1/20 0.47
ADH5 P11766 1/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.47
USP2 O75604 1/20 0.47

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
SCHEMBL30004856 1.00 PFKFB3 (0.60) PFKFB3GP6MAPTIDO1ALDH1A1
SCHEMBL940146 0.85 GP6 (0.65) PFKFB3GP6MAPTIDO1ALDH1A1
SCHEMBL4367955 0.84 MAPT (0.69) GP6MAPTIDO1ALDH1A1PIK3CD
SCHEMBL4261812 0.80 MAPT (0.60) GP6MAPTIDO1ALDH1A1PIK3CD
SCHEMBL17963197 0.80 XDH (0.67) NPC1RAB9APARP1XDHADH5
SCHEMBL12822128 0.79 FGFR1 (0.45) PFKFB3GP6MAPTPIK3CDPIK3CA
SCHEMBL16947309 0.79
SCHEMBL4581907 0.78 GP6 (0.51) PFKFB3GP6MAPTIDO1ALDH1A1
SCHEMBL18234332 0.78
SCHEMBL21856968 0.77 PFKFB3 (1.00) PFKFB3

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-2074089-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2013-09-18 EP claimed
US-8222248-B2 Organic compounds NOVARTIS AG (CH) 2012-07-17 US claimed
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed
EP-2074089-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2013-09-18 EP disclosed
US-8222248-B2 Organic compounds NOVARTIS AG (CH) 2012-07-17 US disclosed
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP disclosed
US-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES ICAGEN, INC. (US) 2008-03-13 US disclosed
US-7223782-B2 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2007-05-29 US disclosed
US-20050049237-A1 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2005-03-03 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 (2 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-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES SCN3A, TRPV3, HCN3 PFKFB3 1202/4885GP6 3299/4885MAPT 3590/4885
US-20050049237-A1 Pyrazole-amides and -sulfonamides SCN3A, TRPV3, HCN3 PFKFB3 1202/4885GP6 3299/4885MAPT 3590/4885

“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.