SCHEMBL2819256

SCHEMBL2819256

N#Cc1c(-c2ccc(NC(=O)Nc3ccccc3)cc2)cc(C2CC2)nc1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
NPSR1 Q6W5P4 4/20 0.45
MAPT P10636 3/20 0.45
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MET P08581 11/20 0.45
KDR P35968 11/20 0.45
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
PPARG P37231 1/20 0.40
NCOA2 Q15596 1/20 0.40
NCOA1 Q15788 1/20 0.40

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
SCHEMBL4421882 0.93 DGAT1 (0.45) GAAMAPTMEN1KMT2AKDR
SCHEMBL2821066 0.93 GAA (0.48) GAAALDH1A1HPGDNPSR1MAPT
SCHEMBL4428021 0.89 DGAT1 (0.47) MAPTMEN1KMT2AKDRHTT
SCHEMBL4426084 0.89 KCNJ6 (0.45) MAPTMEN1KMT2AKDRHTT
SCHEMBL2817036 0.84 KDR (0.46) GAAMAPTMEN1KMT2AKDR
SCHEMBL2820135 0.83 MEN1 (0.52) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL2816637 0.83 ADORA2A (0.53) GAAALDH1A1HPGDNPSR1MAPT
SCHEMBL4431922 0.82 MEN1 (0.43) MAPTMEN1KMT2AKDRHTT
SCHEMBL2820485 0.81 KCNJ6 (0.46) MAPTMEN1KMT2AKDRHTT
SCHEMBL2819466 0.80 KDR (0.44) KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842809-B2 Pyrazolopyridines and salts thereof, a pharmaceutical composition comprising said compounds, a method of preparing same and use of same BAYER SCHERING PHARMA AG (DE) 2010-11-30 US disclosed
US-7842809-B2 Pyrazolopyridines and salts thereof, a pharmaceutical composition comprising said compounds, a method of preparing same and use of same BAYER SCHERING PHARMA AG (DE) 2010-11-30 US disclosed
US-7842809-B2 Pyrazolopyridines and salts thereof, a pharmaceutical composition comprising said compounds, a method of preparing same and use of same BAYER SCHERING PHARMA AG (DE) 2010-11-30 US disclosed
EP-1841767-A1 PYRAZOLOPYRIDINES, THEIR PREPARATION AND THEIR MEDICAL USE Bayer Schering Pharma AG (DE) 2007-10-10 EP disclosed
US-20060252754-A1 Pyrazolopyridines and salts thereof, a pharmaceutical composition comprising said compounds, a method of preparing same and use of same BAYER INTELLECTUAL PROPERTY GMBH (DE) 2006-11-09 US disclosed
WO-2006077168-A1 PYRAZOLOPYRIDINES, THEIR PREPARATION AND THEIR MEDICAL USE BAYER SCHERING PHARMA AG. (DE) 2006-07-27 WO disclosed
EP-1683796-A1 Pyrazolopyridines, their preparation and their medical use Schering Aktiengesellschaft (DE) 2006-07-26 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 (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-20060252754-A1 Pyrazolopyridines and salts thereof, a pharmaceutical composition comprising said compounds, a method of preparing same and use of same TEK, TIE1, KDR GAA 2501/4885ALDH1A1 1626/4885HPGD 1121/4885

“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.