SCHEMBL17285895

SCHEMBL17285895

CN1CCC(N(C)Cc2ccc(F)c(Br)c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NOS2 P35228 6/20 0.59
▸ NOS3 P29474 5/20 0.59
▸ NOS1 P29475 5/20 0.59
▸ KDM4E B2RXH2 3/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ LTA4H P09960 1/20 0.45
▸ MAP4K4 O95819 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ HRH3 Q9Y5N1 2/20 0.40
▸ LSS P48449 1/20 0.40
▸ HRH4 Q9H3N8 1/20 0.40
▸ TSHR P16473 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ HTR2C P28335 1/20 0.39

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
SCHEMBL22878462 0.89 NOS3 (0.46) NOS2NOS3NOS1KDM4EALDH1A1
SCHEMBL17284450 0.88 NOS3 (0.45) NOS2NOS3NOS1KDM4EALDH1A1
SCHEMBL17282102 0.86 NOS3 (0.43) NOS2NOS3NOS1KDM4EALDH1A1
SCHEMBL17286021 0.80 NOS2 (0.59) NOS2NOS3NOS1KDM4EALDH1A1
SCHEMBL18412166 0.80 KDM4E (0.57) NOS2NOS3NOS1KDM4EALDH1A1
SCHEMBL17286027 0.78 KDM4E (0.59) NOS2NOS3NOS1KDM4EALDH1A1
SCHEMBL17285892 0.77 LSS (0.64) NOS2NOS3NOS1KDM4EALDH1A1
SCHEMBL17286022 0.76 SIGMAR1 (0.56) NOS2NOS3NOS1KDM4EALDH1A1
SCHEMBL8251941 0.75 HTR2A (0.58) NOS2NOS3NOS1KDM4EALDH1A1
SCHEMBL13887902 0.75 KDM4E (0.58) NOS2NOS3NOS1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 NOS2 2771/4885NOS3 3306/4885NOS1 3456/4885
US-20160237086-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, FLT3 NOS2 2771/4885NOS3 3306/4885NOS1 3456/4885
US-20170145020-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, FLT3 NOS2 2771/4885NOS3 3306/4885NOS1 3456/4885

“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.

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