SCHEMBL17286016

SCHEMBL17286016

CN1CCC(N(C)Cc2ccc(C(C)(C)C)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.55
HTR2C P28335 3/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
LTA4H P09960 1/20 0.51
NOS2 P35228 6/20 0.48
NOS3 P29474 5/20 0.48
NOS1 P29475 5/20 0.48
HRH3 Q9Y5N1 2/20 0.47
HRH4 Q9H3N8 1/20 0.47
CHIT1 Q13231 1/20 0.45
CHIA Q9BZP6 1/20 0.45
SIGMAR1 Q99720 1/20 0.43
LSS P48449 1/20 0.43

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
SCHEMBL22878355 0.88 HRH3 (0.47) HTR2AHTR2CKDM4EALDH1A1LTA4H
SCHEMBL12891077 0.87 HRH3 (0.56) HTR2ALTA4HHRH3HRH4CHIT1
SCHEMBL17284446 0.87 CHIT1 (0.46) HTR2AHTR2CKDM4EALDH1A1LTA4H
SCHEMBL17282046 0.87 HRH3 (0.46) HTR2AHTR2CKDM4EALDH1A1LTA4H
SCHEMBL12666608 0.83 HRH3 (0.70) ALDH1A1LTA4HHRH3HRH4SIGMAR1
SCHEMBL13887902 0.83 KDM4E (0.58) HTR2AHTR2CKDM4EALDH1A1LTA4H
SCHEMBL8251941 0.83 HTR2A (0.58) HTR2AHTR2CKDM4EALDH1A1LTA4H
SCHEMBL18412166 0.81 KDM4E (0.57) HTR2AHTR2CKDM4EALDH1A1LTA4H
SCHEMBL17286021 0.81 NOS2 (0.59) HTR2AHTR2CKDM4EALDH1A1LTA4H
SCHEMBL25531045 0.81 HRH3 (0.50) HTR2ALTA4HHRH3HRH4CHIT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3145929-B1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS WHICH ARE JAK INHIBITORS HOFFMANN LA ROCHE (CH) 2021-01-13 EP 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 (3 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 HTR2A 3604/4885HTR2C 2450/4885KDM4E 708/4885
US-20160237086-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, FLT3 HTR2A 3604/4885HTR2C 2450/4885KDM4E 708/4885
US-20170145020-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, FLT3 HTR2A 3604/4885HTR2C 2450/4885KDM4E 708/4885

“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.