SCHEMBL2818684

SCHEMBL2818684

CCOC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)c2c(N)nn(C)c2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.50
GAA P10253 1/20 0.50
PRKCZ Q05513 1/20 0.49
CA9 Q16790 2/20 0.48
MAPT P10636 6/20 0.47
GABRA2 P47869 1/20 0.46
GABRB2 P47870 1/20 0.46
AR P10275 2/20 0.46
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
POLB P06746 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
ADORA1 P30542 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
CACNB4 O00305 1/20 0.41
CACNA1A O00555 1/20 0.41

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
SCHEMBL2818604 0.82 IKBKB (0.44) RAB9AMAPTARHTTL3MBTL1
SCHEMBL12973252 0.80 MAPT (0.45) PRKCZMAPTARHTTPOLB
SCHEMBL30367366 0.79 HTT (0.41) MAPTARHTTL3MBTL1MEN1
SCHEMBL17595178 0.75 RAB9A (0.65) RAB9AGAAPRKCZCA9MAPT
SCHEMBL15379503 0.75 CA9 (0.64) RAB9AGAAPRKCZCA9MAPT
SCHEMBL30585421 0.74 HRH4 (0.47) RAB9AGAAMAPTHTTMEN1
SCHEMBL13041794 0.72 KIT (0.49) RAB9AMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL30585433 0.72 ALDH1A1 (0.46) MAPTHTTMEN1KMT2ASMN1; SMN2
SCHEMBL19194800 0.72 RAB9A (0.60) RAB9AGAAPRKCZCA9MAPT
SCHEMBL30585444 0.70 HRH4 (0.37) MAPTHTTMEN1KMT2A

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
EP-2061790-B1 Substituted aminopyrazolopyridines and salts thereof, their preparations and pharmaceutical compositions comprising them BAYER IP GMBH (DE) 2014-08-13 EP disclosed
US-7846928-B2 Substituted pyrazolopyridines and salts thereof, pharmaceutical compositions comprising same, methods of preparing same and uses of same BAYER SCHERING PHARMA AG (DE) 2010-12-07 US disclosed
US-7846928-B2 Substituted pyrazolopyridines and salts thereof, pharmaceutical compositions comprising same, methods of preparing same and uses of same BAYER SCHERING PHARMA AG (DE) 2010-12-07 US disclosed
EP-2061790-A1 SUBSTITUTED AMINOPYRAZOLOPYRIDINES AND SALTS THEREOF, THEIR PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Bayer Schering Pharma Aktiengesellschaft (DE) 2009-05-27 EP disclosed
US-20080058326-A1 SUBSTITUTED PYRAZOLOPYRIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-03-06 US disclosed
US-20080058326-A1 SUBSTITUTED PYRAZOLOPYRIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-03-06 US disclosed
WO-2007144204-A1 SUBSTITUTED AMINOPYRAZOLOPYRIDINES AND SALTS THEREOF, THEIR PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-12-21 WO disclosed
WO-2007144204-A1 SUBSTITUTED AMINOPYRAZOLOPYRIDINES AND SALTS THEREOF, THEIR PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-12-21 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-20080058326-A1 SUBSTITUTED PYRAZOLOPYRIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME KDR, TIE1, FLT1 RAB9A 2067/4885GAA 3627/4885PRKCZ 1023/4885

“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.