SCHEMBL929779

SCHEMBL929779

COc1ccc(Cl)cc1-c1nc(Br)sc1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
KDM4E B2RXH2 2/20 0.55
RECQL P46063 1/20 0.48
AGPAT2 O15120 13/20 0.47
NPC1 O15118 1/20 0.43
TSHR P16473 1/20 0.43
STAT3 P40763 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HPGD P15428 2/20 0.43
USP2 O75604 1/20 0.43
PRNP P04156 1/20 0.43
PPARG P37231 1/20 0.43
MAPK10 P53779 1/20 0.43
NCOA2 Q15596 1/20 0.43
NCOA1 Q15788 1/20 0.43

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
SCHEMBL29488745 1.00 ALDH1A1 (0.55) ALDH1A1KDM4ERECQLAGPAT2NPC1
SCHEMBL931552 0.86 ALDH1A1 (0.55) ALDH1A1KDM4ERECQLAGPAT2MEN1
SCHEMBL17271586 0.82 JAK2 (0.39) ALDH1A1KDM4EAGPAT2TSHRSMN1; SMN2
SCHEMBL19560244 0.81 ALDH1A1 (0.48) ALDH1A1KDM4ERECQLAGPAT2NPC1
SCHEMBL17271610 0.80 ALDH1A1 (0.47) ALDH1A1KDM4ERECQLAGPAT2NPC1
SCHEMBL930488 0.79 ALDH1A1 (0.48) ALDH1A1KDM4ERECQLAGPAT2MEN1
SCHEMBL29488763 0.79 ALDH1A1 (0.54) ALDH1A1KDM4ENPC1TSHRSTAT3
SCHEMBL931009 0.79 ALDH1A1 (0.54) ALDH1A1KDM4ENPC1TSHRSTAT3
SCHEMBL17271571 0.78 MGAM (0.45) ALDH1A1KDM4EAGPAT2NPC1TSHR
SCHEMBL930315 0.76 ALDH1A1 (0.45) ALDH1A1KDM4ERECQLAGPAT2NPC1

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 42 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 729/4885KDM4E 708/4885RECQL 2074/4885
US-20220389020-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 ALDH1A1 1375/4885KDM4E 2704/4885RECQL 626/4885
US-20120190665-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 ALDH1A1 1375/4885KDM4E 2704/4885RECQL 626/4885
US-20180305355-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, FLT3 ALDH1A1 729/4885KDM4E 708/4885RECQL 2074/4885
US-20150152117-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 ALDH1A1 1375/4885KDM4E 2704/4885RECQL 626/4885
US-20240150364-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 ALDH1A1 1375/4885KDM4E 2704/4885RECQL 626/4885

“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.