SCHEMBL17281968

SCHEMBL17281968

CC(C)CN1CCC2(CCN(C(C)(C)C)CC2)C1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 14/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP3A4 P08684 15/20 0.41
USP2 O75604 9/20 0.41
TSHR P16473 5/20 0.41
CYP2C19 P33261 3/20 0.41
CYP1A2 P05177 6/20 0.40
CYP2C9 P11712 4/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALOX15 P16050 1/20 0.39
ALDH1A1 P00352 3/20 0.38
HIF1A Q16665 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
SCHEMBL24926327 0.92 CYP3A4 (0.50) CYP2D6CYP3A4USP2TSHRCYP2C19
SCHEMBL21934376 0.89 CYP2D6 (0.47) CYP2D6SMN1; SMN2CYP3A4USP2TSHR
SCHEMBL24411695 0.89 CYP2D6 (0.54) CYP2D6SMN1; SMN2CYP3A4USP2TSHR
SCHEMBL18926698 0.85 CYP2D6 (0.56) CYP2D6SMN1; SMN2CYP3A4USP2TSHR
SCHEMBL18212474 0.85 CYP2D6 (0.52) CYP2D6SMN1; SMN2CYP3A4USP2TSHR
SCHEMBL13400658 0.81 CYP3A4 (0.51) CYP2D6SMN1; SMN2CYP3A4USP2TSHR
SCHEMBL24751941 0.81 CYP3A4 (0.51) CYP2D6SMN1; SMN2CYP3A4USP2TSHR
SCHEMBL17285924 0.79 CYP2D6 (0.47) CYP2D6SMN1; SMN2CYP3A4USP2TSHR
SCHEMBL22200114 0.79 TSHR (0.49) TSHR
SCHEMBL19969931 0.79 CYP3A4 (0.50) CYP2D6SMN1; SMN2CYP3A4USP2TSHR

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 202/4885SMN1; SMN2 3594/4885CYP3A4 229/4885
US-20150336962-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, FLT3 CYP2D6 202/4885SMN1; SMN2 3594/4885CYP3A4 229/4885
US-20160237086-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, FLT3 CYP2D6 202/4885SMN1; SMN2 3594/4885CYP3A4 229/4885
US-20170145020-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, FLT3 CYP2D6 202/4885SMN1; SMN2 3594/4885CYP3A4 229/4885

“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.