SCHEMBL17258994

SCHEMBL17258994

CCN(c1ccccc1CNC)S(C)(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
TP53 P04637 1/20 0.41
JAK2 O60674 6/20 0.40
JAK1 P23458 6/20 0.40
TYK2 P29597 6/20 0.40
JAK3 P52333 6/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.37
HSD17B10 Q99714 2/20 0.37
HTT P42858 1/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
ESR1 P03372 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL21048878 0.85 JAK2 (0.44) ALDH1A1TP53JAK2JAK1TYK2
SCHEMBL19337065 0.84 ALDH1A1 (0.47) ALDH1A1TP53JAK2JAK1TYK2
SCHEMBL21048978 0.82 TP53 (0.52) ALDH1A1TP53JAK2JAK1TYK2
SCHEMBL21048857 0.80 HTT (0.39) ALDH1A1JAK2JAK1TYK2JAK3
SCHEMBL1291494 0.80 ALDH1A1 (0.44) ALDH1A1TP53JAK2JAK1TYK2
SCHEMBL14479721 0.80 CLK2 (0.49) ALDH1A1JAK2JAK3MEN1KMT2A
Hydrochloric Acid SCHEMBL21048863 0.79 ALDH1A1 (0.43) ALDH1A1TP53JAK2JAK1TYK2
SCHEMBL21048808 0.76 TP53 (0.44) TP53JAK2JAK1TYK2JAK3
SCHEMBL19337154 0.74 ALDH1A1 (0.59) ALDH1A1TP53MEN1KMT2ALMNA
SCHEMBL1291148 0.73 ESR1 (0.60) ALDH1A1MEN1KMT2AHSD17B10HTT

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
EP-3143021-B1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIMIDINES PFIZER (US) 2019-06-12 EP disclosed
US-10022376-B2 Pyrazolopyridines and pyrazolopyrimidines PFIZER INC. (US) 2018-07-17 US disclosed
EP-3143021-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIMIDINES Pfizer Inc (US) 2017-03-22 EP 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
WO-2015173683-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIMIDINES PFIZER INC. (US) 2015-11-19 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 (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 2993/4885TP53 527/4885JAK2 78/4885
US-20150329542-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIMIDINES HRH2, HRH4, HRH1 ALDH1A1 3745/4885TP53 913/4885JAK2 501/4885
US-20170071946-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIMIDINES HRH2, HRH4, HRH1 ALDH1A1 3745/4885TP53 913/4885JAK2 501/4885

“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.