SCHEMBL971909

SCHEMBL971909

CCCCCc1[nH]ncc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 4/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
NOS1 P29475 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
THRB P10828 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
APEX1 P27695 1/20 0.37
NOS3 P29474 1/20 0.37
CYP2C19 P33261 1/20 0.37
NOS2 P35228 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37

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
SCHEMBL18418892 0.81 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2MAPTLMNAGAA
SCHEMBL21964568 0.77 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MAPTLMNANOS1
SCHEMBL9357312 0.74 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2MAPTLMNANOS1
SCHEMBL2549735 0.74 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2MAPTLMNANOS1
SCHEMBL15528272 0.74 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2MAPTLMNANOS1
SCHEMBL9519394 0.72 GPR84 (0.42) ALDH1A1MAPTLMNAGAATDP1
SCHEMBL9015218 0.71 MAPT (0.39) ALDH1A1MAPTLMNAGAATDP1
SCHEMBL4374750 0.71 SMN1; SMN2 (0.34) ALDH1A1SMN1; SMN2MAPTKMT2AKCNH2
SCHEMBL31287983 0.69 HCAR2 (0.41) ALDH1A1MAPTLMNATDP1KDM4E
SCHEMBL10879957 0.69 TXNRD1 (0.40) ALDH1A1SMN1; SMN2MAPTLMNAGAA

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 32 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-11649241-B2 Pyrazolochlorophenyl compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2023-05-16 US disclosed
US-20220389020-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2022-12-08 US disclosed
CN-110114343-B Pyrazolopyrimidine compounds and methods of use thereof 豪夫迈·罗氏有限公司 2022-09-06 CN disclosed
EP-3596072-B1 PYRAZOLOCHLOROPHENYL COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2022-06-22 EP disclosed
CN-110494434-B Pyrazolophenyl compounds, compositions thereof, and methods of use thereof 豪夫迈·罗氏有限公司 2022-05-24 CN 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
US-11155557-B2 Pyrazolopyrimidine compounds and methods of use thereof GENENTECH, INC. (US) 2021-10-26 US disclosed
US-20210179626-A1 PYRAZOLOCHLOROPHENYL COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-06-17 US disclosed
EP-3562809-B1 PYRAZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2021-06-09 EP disclosed
US-20160237086-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-08-18 US disclosed
US-9346815-B2 5-chloro-2-difluoromethoxyphenyl pyrazolopyrimidine compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2016-05-24 US disclosed
US-20150336962-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2015-11-26 US disclosed
WO-2015177326-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS WHICH ARE JAK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2015-11-26 WO 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
CN-102482284-A Pyrazolopyrimidine compounds and methods as JAK inhibitors GENENTECH INC 2012-05-30 CN 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 (9 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-11155557-B2 Pyrazolopyrimidine compounds and methods of use thereof JAK2, JAK1, JAK3 ALDH1A1 819/4885SMN1; SMN2 3266/4885MAPT 3164/4885
US-20210179626-A1 PYRAZOLOCHLOROPHENYL COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF JAK1, JAK2, JAK3 ALDH1A1 1102/4885SMN1; SMN2 4557/4885MAPT 4216/4885
US-20220389020-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 ALDH1A1 1375/4885SMN1; SMN2 1036/4885MAPT 602/4885
US-20120190665-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 ALDH1A1 1375/4885SMN1; SMN2 1036/4885MAPT 602/4885
US-20150336962-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, FLT3 ALDH1A1 729/4885SMN1; SMN2 3594/4885MAPT 3097/4885
US-20150152117-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 ALDH1A1 1375/4885SMN1; SMN2 1036/4885MAPT 602/4885
US-20160237086-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, FLT3 ALDH1A1 729/4885SMN1; SMN2 3594/4885MAPT 3097/4885
US-20240150364-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 ALDH1A1 1375/4885SMN1; SMN2 1036/4885MAPT 602/4885
US-11649241-B2 Pyrazolochlorophenyl compounds, compositions and methods of use thereof JAK1, JAK2, JAK3 ALDH1A1 1102/4885SMN1; SMN2 4557/4885MAPT 4216/4885

“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.