SCHEMBL929689

SCHEMBL929689

O=C(O)c1cc(Cl)ccc1OCCCl

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.63
GAA P10253 2/20 0.63
ALDH1A1 P00352 2/20 0.50
TP53 P04637 1/20 0.50
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
MRGPRX4 Q96LA9 4/20 0.48
PTGER1 P34995 1/20 0.48
TDP1 Q9NUW8 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CASP1 P29466 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
POLB P06746 1/20 0.46
HPGD P15428 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
PTGDR2 Q9Y5Y4 3/20 0.45
MYC P01106 1/20 0.44

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
SCHEMBL13951308 0.87 TSHR (0.63) TSHRGAAALDH1A1TP53CA1
SCHEMBL12781084 0.85 GAA (0.61) TSHRGAAALDH1A1TP53CA1
SCHEMBL20522075 0.85 GAA (0.61) TSHRGAAALDH1A1TP53CA1
SCHEMBL987385 0.85 GAA (0.61) TSHRGAAALDH1A1TP53CA1
SCHEMBL31497228 0.85 GAA (0.61) TSHRGAAALDH1A1TP53CA1
SCHEMBL1153890 0.84 GAA (0.60) TSHRGAAALDH1A1MRGPRX4TDP1
Hydrochloric Acid SCHEMBL1505021 0.84 GAA (0.60) TSHRGAAALDH1A1TP53CA1
SCHEMBL1505166 0.84 GAA (0.60) TSHRGAAALDH1A1TP53CA1
SCHEMBL11642707 0.83 PTGDR2 (0.50) TSHRGAAALDH1A1TP53SMN1; SMN2
Hydrochloric Acid SCHEMBL1505162 0.83 GAA (0.58) TSHRGAAALDH1A1TP53CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240150364-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2024-05-09 US disclosed
US-20220389020-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2022-12-08 US disclosed
EP-3670514-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS Genentech, Inc. (US) 2020-06-24 EP disclosed
EP-3333169-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS Genentech, Inc. (US) 2018-06-13 EP disclosed
US-20170283424-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2017-10-05 US disclosed
US-20150152117-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2015-06-04 US disclosed
US-8999998-B2 Pyrazolopyrimidine JAK inhibitor compounds and methods GENENTECH, INC. (US) 2015-04-07 US disclosed
US-20120190665-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2012-07-26 US disclosed
EP-2448941-A2 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS Genentech, Inc. (US) 2012-05-09 EP disclosed
WO-2011003065-A2 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2011-01-06 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 (5 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-20220389020-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 TSHR 932/4885GAA 3202/4885ALDH1A1 1375/4885
US-20120190665-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 TSHR 932/4885GAA 3202/4885ALDH1A1 1375/4885
US-20150152117-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 TSHR 932/4885GAA 3202/4885ALDH1A1 1375/4885
US-20240150364-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 TSHR 932/4885GAA 3202/4885ALDH1A1 1375/4885
US-20170283424-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 TSHR 932/4885GAA 3202/4885ALDH1A1 1375/4885

“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.