SCHEMBL2818613

SCHEMBL2818613

Cc1nn(C)c2nc(S(C)(=O)=O)cc(-c3ccc(N)cc3)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.39
S1PR2 O95136 3/20 0.38
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CSF1R P07333 1/20 0.36
KIT P10721 1/20 0.36
BLK P51451 1/20 0.36
JAK2 O60674 2/20 0.35
JAK3 P52333 1/20 0.35
PTK2 Q05397 1/20 0.35
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
DHFR P00374 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TLR9 Q9NR96 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
SCHEMBL2816788 0.83 PDE5A (0.42) PDE5AS1PR2ALDH1A1HPGDMAPT
SCHEMBL2821619 0.73 CSF1R (0.45) PDE5AKDM4EALDH1A1HPGDMAPT
SCHEMBL2817529 0.71 KDR (0.51) S1PR2CSF1RKITBLKJAK2
SCHEMBL2819164 0.68 CSF1R (0.40) KDM4EMAPTCSF1RKITBLK
SCHEMBL24900124 0.63 S1PR2 (0.63) S1PR2KDM4EMAPTMEN1KMT2A
SCHEMBL2818604 0.62 IKBKB (0.44) PDE5AALDH1A1HPGDMAPTMEN1
SCHEMBL4263914 0.62 MERTK (0.38) CA12CA2CA9TLR9
SCHEMBL3442468 0.61 CSF1R (0.61) CSF1RKITBLK
SCHEMBL21183232 0.61 DYRK1A (0.38) PDE5AKDM4EALDH1A1MAPTCA12
SCHEMBL29187119 0.61 GLP1R (0.34) MAPTMEN1KMT2ACA12CA2

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 5 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
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
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 PDE5A 71/4885S1PR2 242/4885KDM4E 541/4885

“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.