SCHEMBL2820487

SCHEMBL2820487

CC(c1cc(-c2ccc([N+](=O)[O-])cc2)c2cn[nH]c2n1)N(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
LMNA P02545 3/20 0.41
NOS1 P29475 2/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
POLB P06746 1/20 0.41
MAOB P27338 1/20 0.41
GYS1 P13807 1/20 0.40
HTT P42858 1/20 0.40
XDH P47989 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
DYRK1A Q13627 2/20 0.37
DYRK1B Q9Y463 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37

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
SCHEMBL27756012 0.70 GYS1 (0.41) MAPTLMNANOS1CYP3A4ALOX15
SCHEMBL2819456 0.68 KMT2A (0.41) MAPTLMNACYP3A4ALOX15GYS1
SCHEMBL27974319 0.67 SMN1; SMN2 (0.53) MAPTLMNANOS1CYP3A4ALOX15
SCHEMBL4908474 0.63 MAPT (0.58) MAPTCYP3A4MEN1KMT2AMAPK1
SCHEMBL5372649 0.63 MAPT (0.58) MAPTCYP3A4MEN1KMT2AMAPK1
SCHEMBL1987144 0.63 GYS1 (0.57) MAPTLMNANOS1CYP3A4ALOX15
SCHEMBL2817605 0.60 ADORA2A (0.45) MAPTHTTMEN1KMT2AADORA2A
SCHEMBL29394925 0.60 MAPT (1.00) MAPTLMNANOS1CYP3A4ALOX15
SCHEMBL148826 0.60 NOS1 (1.00) MAPTLMNANOS1CYP3A4ALOX15
SCHEMBL271522 0.60 MAPT (1.00) MAPTLMNANOS1CYP3A4ALOX15

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 3 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-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

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 MAPT 3460/4885LMNA 3934/4885NOS1 370/4885

“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.