Sugi Predict

Sugi Predict / Compounds / SCHEMBL931009

SCHEMBL931009

SCHEMBL931009

COc1ccc(Cl)cc1-c1nc(Br)sc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.54
▸ HPGD P15428 2/20 0.54
▸ PTGDR2 Q9Y5Y4 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ CTSA P10619 6/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ TTR P02766 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ STAT3 P40763 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MRGPRX4 Q96LA9 1/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ JAK1 P23458 1/20 0.40
▸ TYK2 P29597 1/20 0.40
▸ JAK3 P52333 1/20 0.40
▸ CLK1 P49759 1/20 0.40
▸ CLK2 P49760 1/20 0.40

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
SCHEMBL29488763 1.00 ALDH1A1 (0.54) ALDH1A1HPGDPTGDR2KDM4EPOLB
SCHEMBL17271610 0.89 ALDH1A1 (0.47) ALDH1A1HPGDPTGDR2KDM4EPOLB
SCHEMBL930659 0.87 ALDH1A1 (0.54) ALDH1A1HPGDPTGDR2KDM4EPOLB
SCHEMBL22878485 0.86 ALDH1A1 (0.53) ALDH1A1HPGDPTGDR2KDM4EPOLB
SCHEMBL931090 0.84 CDC7 (0.52) ALDH1A1HPGDPTGDR2KDM4EPOLB
SCHEMBL7051373 0.81 PTGDR2 (0.49) ALDH1A1HPGDPTGDR2KDM4ENPC1
SCHEMBL952934 0.80 CDC7 (0.50) ALDH1A1KDM4ENPC1MAPTTSHR
SCHEMBL29488745 0.79 ALDH1A1 (0.55) ALDH1A1HPGDKDM4ENPC1TSHR
SCHEMBL929779 0.79 ALDH1A1 (0.55) ALDH1A1HPGDKDM4ENPC1TSHR
SCHEMBL19560244 0.76 ALDH1A1 (0.48) ALDH1A1HPGDPTGDR2KDM4ENPC1

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 43 patents — showing the first 20. 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
CN-109970743-B 5-chloro-2-difluoromethoxyphenyl pyrazolopyrimidine compounds as JAK inhibitors 豪夫迈·罗氏有限公司 2022-03-04 — — CN disclosed
EP-3145929-B1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS WHICH ARE JAK INHIBITORS HOFFMANN LA ROCHE (CH) 2021-01-13 — — EP disclosed
EP-3145929-B1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS WHICH ARE JAK INHIBITORS HOFFMANN LA ROCHE (CH) 2021-01-13 — — EP disclosed
EP-3670514-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS Genentech, Inc. (US) 2020-06-24 — — EP disclosed
EP-3670514-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS Genentech, Inc. (US) 2020-06-24 — — EP disclosed
US-20190322661-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-10-24 — — US disclosed
US-20180305355-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-10-25 — — US disclosed
EP-3333169-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS Genentech, Inc. (US) 2018-06-13 — — EP 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-8999998-B2 Pyrazolopyrimidine JAK inhibitor compounds and methods GENENTECH, INC. (US) 2015-04-07 — — 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
US-20120190665-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2012-07-26 — — 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
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 (6 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-20190322661-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, FLT3 ALDH1A1 729/4885HPGD 2376/4885PTGDR2 2345/4885
US-20220389020-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 ALDH1A1 1375/4885HPGD 1731/4885PTGDR2 265/4885
US-20120190665-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 ALDH1A1 1375/4885HPGD 1731/4885PTGDR2 265/4885
US-20180305355-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, FLT3 ALDH1A1 729/4885HPGD 2376/4885PTGDR2 2345/4885
US-20150152117-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 ALDH1A1 1375/4885HPGD 1731/4885PTGDR2 265/4885
US-20240150364-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 ALDH1A1 1375/4885HPGD 1731/4885PTGDR2 265/4885

“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.