SCHEMBL17282015

SCHEMBL17282015

CC(C)(C)N1C[C@H]2CN(CCCN3CCOCC3)C[C@H]2C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.47
CYP1A2 P05177 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.43
KEAP1 Q14145 1/20 0.43
SIGMAR1 Q99720 3/20 0.41
HPGD P15428 1/20 0.40
DUSP3 P51452 1/20 0.40
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
HTR2A P28223 1/20 0.36
SCN1A P35498 1/20 0.36
HTR2B P41595 1/20 0.36
KCNH2 Q12809 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
POLB P06746 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
SCHEMBL21500962 0.83 HRH3 (0.43) CYP1A2SMN1; SMN2SIGMAR1MAPK1HRH3
SCHEMBL17285956 0.82 KEAP1 (0.48) CYP2D6CYP1A2SMN1; SMN2KEAP1SIGMAR1
SCHEMBL12677482 0.80 SMN1; SMN2 (0.50) CYP2D6CYP1A2SMN1; SMN2KEAP1SIGMAR1
SCHEMBL22878356 0.77 KEAP1 (0.47) CYP2D6CYP1A2SMN1; SMN2KEAP1SIGMAR1
SCHEMBL17284456 0.77 KEAP1 (0.52) CYP2D6CYP1A2SMN1; SMN2KEAP1SIGMAR1
SCHEMBL17281992 0.77 SMN1; SMN2 (0.52) SMN1; SMN2MAPK1ALDH1A1HRH3POLB
SCHEMBL17282012 0.75 GBA1 (0.37)
SCHEMBL17281979 0.75 KDM4E (0.35) KDM4E
SCHEMBL21371150 0.75 ALDH1A1 (0.40) CYP2D6CYP1A2SMN1; SMN2KEAP1SIGMAR1
SCHEMBL10188202 0.74 ALDH1A1 (0.50) CYP2D6CYP1A2SMN1; SMN2KEAP1SIGMAR1

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
US-20190322661-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-10-24 US disclosed
US-20170145020-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-05-25 US disclosed
US-20170145020-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-05-25 US disclosed
US-9604984-B2 5-chloro-2-difluoromethoxyphenyl pyrazolopyrimidine compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2017-03-28 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 CYP2D6 202/4885CYP1A2 172/4885SMN1; SMN2 3594/4885
US-20150336962-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, FLT3 CYP2D6 202/4885CYP1A2 172/4885SMN1; SMN2 3594/4885
US-20160237086-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, FLT3 CYP2D6 202/4885CYP1A2 172/4885SMN1; SMN2 3594/4885
US-20170145020-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, FLT3 CYP2D6 202/4885CYP1A2 172/4885SMN1; SMN2 3594/4885

“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.