SCHEMBL17258671

SCHEMBL17258671

CCN(c1ccccn1)S(C)(=O)=O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.69
SMN1; SMN2 Q16637 1/20 0.50
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 2/20 0.43
HPGD P15428 2/20 0.43
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
ATM Q13315 1/20 0.38
RORC P51449 1/20 0.37
CHRM2 P08172 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
DRD1 P21728 1/20 0.37
SLC6A2 P23975 1/20 0.37
HTR2A P28223 1/20 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
SCHEMBL254106 0.77 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2CYP2D6CYP2C19KDM4E
SCHEMBL28392622 0.76 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2CYP2D6CYP2C19KDM4E
SCHEMBL761379 0.76 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2CYP2D6CYP2C19KDM4E
SCHEMBL17258949 0.75 HDAC6 (0.44) ALDH1A1SMN1; SMN2KDM4ELMNAPOLB
SCHEMBL22048451 0.74 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2CYP2D6CYP2C19KDM4E
SCHEMBL15550676 0.73 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2CYP2D6CYP2C19KDM4E
SCHEMBL15016452 0.73 L3MBTL1 (0.48) ALDH1A1SMN1; SMN2CYP2D6CYP2C19KDM4E
SCHEMBL225860 0.72 CYP2D6 (0.52) ALDH1A1SMN1; SMN2CYP2D6CYP2C19KDM4E
SCHEMBL1921570 0.72 CYP2D6 (0.62) ALDH1A1SMN1; SMN2CYP2D6CYP2C19KDM4E
SCHEMBL29390583 0.72 CYP2D6 (0.52) ALDH1A1SMN1; SMN2CYP2D6CYP2C19KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10022376-B2 Pyrazolopyridines and pyrazolopyrimidines PFIZER INC. (US) 2018-07-17 US disclosed
US-20170071946-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIMIDINES PFIZER INC. (US) 2017-03-16 US disclosed
US-9518052-B2 Pyrazolopyridines and pyrazolopyrimidines PFIZER INC. (US) 2016-12-13 US disclosed
US-20150329542-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIMIDINES PFIZER INC. 2015-11-19 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 (3 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-10022376-B2 Pyrazolopyridines and pyrazolopyrimidines CBR3, HRH4, REN ALDH1A1 2993/4885SMN1; SMN2 990/4885CYP2D6 257/4885
US-20150329542-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIMIDINES HRH2, HRH4, HRH1 ALDH1A1 3745/4885SMN1; SMN2 697/4885CYP2D6 31/4885
US-20170071946-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIMIDINES HRH2, HRH4, HRH1 ALDH1A1 3745/4885SMN1; SMN2 697/4885CYP2D6 31/4885

“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.