SCHEMBL17282182

SCHEMBL17282182

CCOC(=O)CN1CCC(C(C)(C)C)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
ALOX12 P18054 1/20 0.49
CYP2C19 P33261 1/20 0.49
HSD11B1 P28845 1/20 0.42
ELANE P08246 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
ABL1 P00519 1/20 0.38
RIN1 Q13671 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PKM P14618 2/20 0.38
GSK3B P49841 2/20 0.38
GSK3A P49840 1/20 0.38
CYP2D6 P10635 1/20 0.37
KCNH2 Q12809 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
SCHEMBL11960583 0.83 OPRL1 (0.42) ALDH1A1HSD11B1SMN1; SMN2GSK3BCYP2D6
SCHEMBL17281950 0.81 HTR4 (0.43) GAAKDM4EALDH1A1LMNACYP1A2
SCHEMBL14436566 0.81 HSD11B1 (0.40) KDM4EHSD11B1SMN1; SMN2GSK3BCYP2D6
SCHEMBL2663390 0.81 MAPT (0.48) KDM4EALDH1A1LMNACYP1A2CYP3A4
SCHEMBL26986912 0.81 GSK3B (0.41) GAAKDM4EALDH1A1HSD11B1ELANE
SCHEMBL6642453 0.81 TDP1 (0.41) GAAKDM4EALDH1A1HSD11B1ELANE
SCHEMBL29324709 0.80 KDM4E (0.44) GAAKDM4EALDH1A1LMNACYP1A2
SCHEMBL8912811 0.80 MGAM (0.50) GAAKDM4EALDH1A1LMNAELANE
SCHEMBL3966571 0.80 MGAM (0.50) GAAKDM4EALDH1A1LMNAELANE
SCHEMBL2373233 0.80 MGAM (0.50) GAAKDM4EALDH1A1LMNAELANE

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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-20150336962-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, FLT3 GAA 2717/4885KDM4E 708/4885ALDH1A1 729/4885
US-20160237086-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, FLT3 GAA 2717/4885KDM4E 708/4885ALDH1A1 729/4885

“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.