SCHEMBL2820504

SCHEMBL2820504

Cc1cc(-c2ccc([N+](=O)[O-])cc2)c(C#N)c(=O)[nH]1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.55
MET P08581 2/20 0.55
KDM4E B2RXH2 3/20 0.50
ATM Q13315 1/20 0.46
ALDH1A1 P00352 3/20 0.45
HPGD P15428 3/20 0.45
IKBKB O14920 1/20 0.45
PIM1 P11309 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TP53 P04637 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
DHODH Q02127 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
SCHEMBL2203894 0.86 KDR (0.53) KDRMETKDM4EATMALDH1A1
SCHEMBL2819514 0.83 KDR (0.53) KDRMETKDM4EATMIKBKB
SCHEMBL6193017 0.80 ATM (0.69) KDRMETKDM4EATMALDH1A1
SCHEMBL2818497 0.80 KDR (0.52) KDRMETKDM4EATMALDH1A1
SCHEMBL2819321 0.79 MET (0.52) KDRMETKDM4EATMIKBKB
SCHEMBL14339670 0.78 KDM4E (0.52) KDRMETKDM4EATMALDH1A1
SCHEMBL2821468 0.78 KDR (0.50) KDRMETKDM4EATMALDH1A1
SCHEMBL2583906 0.77 KDM4E (0.57) KDM4EATMALDH1A1HPGDPIM1
SCHEMBL2817280 0.77 KDR (0.49) KDRMETKDM4EATMALDH1A1
SCHEMBL6466001 0.76 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2GAAMEN1POLB

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120058736-A FLT3 covalent inhibitor containing isoxazolo [5,4-b ] pyridine structure and preparation method and application thereof 南京中医药大学 2025-05-30 CN disclosed
CN-119638639-A Biaryl compound with anti-cell necrotic apoptosis activity, derivative and application thereof 中国药科大学 2025-03-18 CN disclosed
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
US-7795264-B2 Substituted arylpyrazolopyridines and salts thereof, pharmaceutical compositions comprising same, methods of preparing same and uses of same BAYER SCHERING PHARMA AG (DE) 2010-09-14 US disclosed
US-7795264-B2 Substituted arylpyrazolopyridines and salts thereof, pharmaceutical compositions comprising same, methods of preparing same and uses of same BAYER SCHERING PHARMA AG (DE) 2010-09-14 US disclosed
CN-101528742-A Substituted aminopyrazolopyridines and salts thereof, preparation thereof and pharmaceutical compositions comprising them BAYER SCHERING PHARMA AG (DE) 2009-09-09 CN 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
EP-2032573-A1 SUBSTITUTED ARYLPYRAZOLOPYRIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME Bayer Schering Pharma Aktiengesellschaft (DE) 2009-03-11 EP disclosed
US-20080064707-A1 SUBSTITUTED ARYLPYRAZOLOPYRIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-03-13 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
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
EP-1870410-A1 Substituted arylpyrazolopyridines and salts thereof, pharmaceutical compositions comprising same, methods of preparing same and uses of same Bayer Schering Pharma Aktiengesellschaft (DE) 2007-12-26 EP disclosed
EP-1870410-A1 Substituted arylpyrazolopyridines and salts thereof, pharmaceutical compositions comprising same, methods of preparing same and uses of same Bayer Schering Pharma Aktiengesellschaft (DE) 2007-12-26 EP disclosed
WO-2007144203-A1 SUBSTITUTED ARYLPYRAZOLOPYRIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-12-21 WO disclosed
WO-2007144203-A1 SUBSTITUTED ARYLPYRAZOLOPYRIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME 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
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
EP-1867648-A1 Substituted aminopyrazolopyridines and salts thereof, their preparations and pharmaceutical compositions comprising them. Bayer Schering Pharma Aktiengesellschaft (DE) 2007-12-19 EP 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-20080058326-A1 SUBSTITUTED PYRAZOLOPYRIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME KDR, TIE1, FLT1 KDR 1/4885MET 1432/4885KDM4E 541/4885
US-20080064707-A1 SUBSTITUTED ARYLPYRAZOLOPYRIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME KDR, TIE1, TEK KDR 1/4885MET 885/4885KDM4E 346/4885

“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.