SCHEMBL18673236

SCHEMBL18673236

CNC(=O)CCCN1CCC(C(C)(C)C)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2J2 P51589 7/20 0.43
SIGMAR1 Q99720 1/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
ADRA1A P35348 2/20 0.39
MEN1 O00255 1/20 0.39
CHRM2 P08172 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
DRD1 P21728 1/20 0.39
OPRM1 P35372 1/20 0.39
DRD3 P35462 1/20 0.39
KMT2A Q03164 1/20 0.39
KCNH2 Q12809 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 1/20 0.38

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
SCHEMBL17285867 0.82 POLB (0.58) POLBHTTCA1CA2CA9
SCHEMBL17281926 0.82 CYP2J2 (0.45) CYP2J2SIGMAR1POLBHTTADRA1A
SCHEMBL17284606 0.81 GNAI3 (0.49) POLBHTTCA1CA2CA9
SCHEMBL22878230 0.81 POLB (0.41) POLBHTTCA1CA2CA9
SCHEMBL17281947 0.78 ALOX15 (0.44) CYP2J2SIGMAR1ADRA1AMEN1CHRM2
SCHEMBL6760028 0.78 CYP1A2 (0.57) SIGMAR1POLBHTR1AADRA2AKCNH2
SCHEMBL18673323 0.77 HTR1A (0.56) CYP2J2HTTMEN1HTR1ADRD3
SCHEMBL9872567 0.77 CYP2J2 (0.67) CYP2J2HTTKCNH2CYP3A4CYP2C9
SCHEMBL9873058 0.76 CYP2J2 (0.65) CYP2J2HTTDRD3KCNH2CYP3A4
SCHEMBL12152422 0.76 PAOX (0.55) CA1CA2CA9SMN1; SMN2CYP1A2

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 3 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-9604984-B2 5-chloro-2-difluoromethoxyphenyl pyrazolopyrimidine compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2017-03-28 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-20190322661-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, FLT3 CYP2J2 68/4885SIGMAR1 1418/4885POLB 339/4885
US-20170145020-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, FLT3 CYP2J2 68/4885SIGMAR1 1418/4885POLB 339/4885

“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.