SCHEMBL17258776

SCHEMBL17258776

CCCCN(c1ccccc1CNC(=O)OC(C)(C)C)S(C)(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.42
TYK2 P29597 4/20 0.42
JAK3 P52333 4/20 0.42
JAK1 P23458 3/20 0.42
TP53 P04637 1/20 0.41
KCNA5 P22460 1/20 0.41
CTSK P43235 1/20 0.39
KDM4A O75164 1/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA7 P43166 2/20 0.39
CA14 Q9ULX7 2/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
DRD2 P14416 1/20 0.37
BRD9 Q9H8M2 1/20 0.37
BAZ2B Q9UIF8 1/20 0.37
BAZ2A Q9UIF9 1/20 0.37
NQO2 P16083 1/20 0.36

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
SCHEMBL17258976 0.93 TP53 (0.42) JAK2TYK2JAK3TP53KCNA5
SCHEMBL21048808 0.89 TP53 (0.44) JAK2TYK2JAK3JAK1TP53
SCHEMBL28840926 0.83 TP53 (0.48) JAK2TYK2JAK3JAK1TP53
SCHEMBL12280397 0.81 KMT2A (0.47) TP53KCNA5KDM4ACA12CA1
SCHEMBL21048878 0.78 JAK2 (0.44) JAK2TYK2JAK3JAK1TP53
SCHEMBL24352770 0.77 KCNA5 (0.49) KCNA5KDM4ACA12CA1CA7
SCHEMBL28831016 0.77 KCNA5 (0.49) KCNA5KDM4ACA12CA1CA7
SCHEMBL17258939 0.76 TP53 (0.50) JAK2TYK2JAK3JAK1TP53
SCHEMBL12663115 0.76 KCNA5 (0.48) KCNA5CTSKKDM4ANQO2
SCHEMBL8018113 0.75 KCNA5 (0.56) KCNA5CTSKKDM4ACA12CA1

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 JAK2 78/4885TYK2 858/4885JAK3 392/4885
US-20150329542-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIMIDINES HRH2, HRH4, HRH1 JAK2 501/4885TYK2 1438/4885JAK3 1185/4885
US-20170071946-A1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIMIDINES HRH2, HRH4, HRH1 JAK2 501/4885TYK2 1438/4885JAK3 1185/4885

“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.