SCHEMBL2822812

SCHEMBL2822812

CCOC(=O)C(C)(C)c1cc(-c2ccc([N+](=O)[O-])cc2)c(C#N)c(OS(=O)(=O)C(F)(F)F)n1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.40
SQOR Q9Y6N5 2/20 0.38
NOD2 Q9HC29 1/20 0.37
NOD1 Q9Y239 1/20 0.37
RAB9A P51151 3/20 0.36
HPGD P15428 1/20 0.36
CA9 Q16790 1/20 0.36
GAA P10253 2/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
AR P10275 1/20 0.36
PRKCZ Q05513 1/20 0.36
KDR P35968 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MET P08581 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
MAPK8 P45983 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL2816872 0.88 SQOR (0.41) SQORHPGDGAASMN1; SMN2ALDH1A1
SCHEMBL2816429 0.86 SQOR (0.51) IKBKBSQORHPGDGAAAKR1C3
SCHEMBL2819107 0.86 GAA (0.46) IKBKBSQORNOD2NOD1RAB9A
SCHEMBL15936276 0.84 IKBKB (0.38) IKBKBSQORRAB9AGAAAKR1C3
SCHEMBL2816056 0.82 IKBKB (0.47) IKBKBSQORRAB9AHPGDGAA
SCHEMBL2818501 0.82 IKBKB (0.38) IKBKBSQORRAB9AHPGDCA9
SCHEMBL2816798 0.79 IDH1 (0.46) IKBKBGAAKDRSMN1; SMN2MAPT
SCHEMBL2819109 0.78 IKBKB (0.42) IKBKBSQORHPGDGAAAKR1C3
SCHEMBL14366885 0.76 PRKCZ (0.35) RAB9AHPGDGAAPRKCZSMN1; SMN2
SCHEMBL2817003 0.75 ADORA2A (0.44) IKBKBRAB9AHPGDGAAKDR

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
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-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

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 IKBKB 1240/4885SQOR 1260/4885NOD2 2792/4885

“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.