SCHEMBL1895234

SCHEMBL1895234

CCOC(=O)C(=O)C(C#N)c1ccccc1-n1c(C)ccc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
GAA P10253 2/20 0.42
MAPK1 P28482 4/20 0.40
MAPT P10636 8/20 0.39
HIF1A Q16665 3/20 0.39
MYC P01106 2/20 0.39
ALDH1A1 P00352 7/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
STAT1 P42224 1/20 0.38
NR4A1 P22736 1/20 0.38
FNTA P49354 2/20 0.37
FNTB P49356 2/20 0.37
PKM P14618 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
LMNA P02545 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
CASP1 P29466 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
SCHEMBL9587397 0.79 SMN1; SMN2 (0.46) SMN1; SMN2MEN1KMT2AGAAMAPT
SCHEMBL9587118 0.79 CASP1 (0.56) SMN1; SMN2MEN1KMT2AGAAMAPT
SCHEMBL7358766 0.76 MEN1 (0.50) SMN1; SMN2MEN1KMT2AGAAMAPT
SCHEMBL11812265 0.70 DHODH (0.44) SMN1; SMN2MEN1KMT2AGAAMAPK1
SCHEMBL11808817 0.69 SMN1; SMN2 (0.44) SMN1; SMN2MEN1KMT2AGAAMAPK1
SCHEMBL11814853 0.69 ALDH1A1 (0.44) SMN1; SMN2MEN1KMT2AGAAALDH1A1
SCHEMBL17843998 0.68 SMN1; SMN2 (0.58) SMN1; SMN2MEN1KMT2AGAAMAPK1
SCHEMBL4579109 0.68 GAA (0.58) SMN1; SMN2MEN1KMT2AGAAMAPT
SCHEMBL30168361 0.68 SMN1; SMN2 (0.58) SMN1; SMN2MEN1KMT2AGAAMAPK1
SCHEMBL9586863 0.68 MAPT (0.47) SMN1; SMN2MEN1KMT2AGAAMAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7943610-B2 Pyrazolopyridine-1,4-diamines and analogs thereof 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-05-17 US disclosed
US-7943610-B2 Pyrazolopyridine-1,4-diamines and analogs thereof 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-05-17 US disclosed
US-20090124611-A1 Pyrazolopyridine-1,4-Diamines and Analogs Thereof COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-05-14 US disclosed
US-20090124611-A1 Pyrazolopyridine-1,4-Diamines and Analogs Thereof COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-05-14 US disclosed
EP-1869043-A2 PYRAZOLOPYRIDINE-1,4-DIAMINES AND ANALOGS THEREOF Coley Pharmaceutical Group, Inc. (US) 2007-12-26 EP disclosed
WO-2006107853-A2 PYRAZOLOPYRIDINE-1,4-DIAMINES AND ANALOGS THEREOF COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-10-12 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-20090124611-A1 Pyrazolopyridine-1,4-Diamines and Analogs Thereof IL4, IL2, IL1A SMN1; SMN2 3551/4885MEN1 2626/4885KMT2A 3322/4885

“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.