SCHEMBL17282103

SCHEMBL17282103

CC(C)(C)CCNCc1ccccc1O

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 5/20 0.69
▸ CA2 P00918 5/20 0.69
▸ CA9 Q16790 4/20 0.65
▸ TSHR P16473 2/20 0.65
▸ KDM4E B2RXH2 1/20 0.65
▸ HSD17B10 Q99714 1/20 0.65
▸ MPO P05164 9/20 0.62
▸ CYP2D6 P10635 1/20 0.62
▸ HIF1A Q16665 1/20 0.62
▸ SLC6A4 P31645 1/20 0.59
▸ PKM P14618 1/20 0.51

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
SCHEMBL31532322 0.82 CA12 (1.00) CA12CA2CA9TSHRKDM4E
SCHEMBL2794849 0.82 CA12 (1.00) CA12CA2CA9TSHRKDM4E
SCHEMBL12996049 0.81 CA12 (0.95) CA12CA2CA9TSHRKDM4E
SCHEMBL30586211 0.81 CA12 (0.95) CA12CA2CA9TSHRKDM4E
SCHEMBL30586212 0.81 CA12 (0.95) CA12CA2CA9TSHRKDM4E
SCHEMBL30586214 0.81 CA12 (0.95) CA12CA2CA9TSHRKDM4E
SCHEMBL14354016 0.81 CA12 (0.95) CA12CA2CA9TSHRKDM4E
SCHEMBL30197711 0.81 CA12 (0.95) CA12CA2CA9TSHRKDM4E
SCHEMBL13966240 0.80 CHRM2 (0.62) CA12CA2
SCHEMBL1238295 0.79 CA12 (0.77) CA12CA2CA9TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200071735-A1 Compounds for Increasing Lipid Synthesis and Storage WASE, NISHIKANT 2020-03-05 — — US disclosed
US-20190322661-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-10-24 — — US disclosed
US-10351883-B2 Compounds for increasing lipid synthesis and storage NUTECH VENTURES (US) 2019-07-16 — — 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-9604984-B2 5-chloro-2-difluoromethoxyphenyl pyrazolopyrimidine compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2017-03-28 — — US disclosed
US-20160312253-A1 Compounds for Increasing Lipid Synthesis and Storage INVITROGEN CORPORATION 2016-10-27 — — 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 (7 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-20160312253-A1 Compounds for Increasing Lipid Synthesis and Storage FASN, LIPC, SREBF2 CA12 4719/4885CA2 3458/4885CA9 4422/4885
US-20190322661-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, FLT3 CA12 2295/4885CA2 2374/4885CA9 1736/4885
US-10351883-B2 Compounds for increasing lipid synthesis and storage FASN, LIPC, SREBF2 CA12 4719/4885CA2 3458/4885CA9 4422/4885
US-20150336962-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, FLT3 CA12 2295/4885CA2 2374/4885CA9 1736/4885
US-20200071735-A1 Compounds for Increasing Lipid Synthesis and Storage FASN, LIPC, SREBF2 CA12 4719/4885CA2 3458/4885CA9 4422/4885
US-20160237086-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, FLT3 CA12 2295/4885CA2 2374/4885CA9 1736/4885
US-20170145020-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, FLT3 CA12 2295/4885CA2 2374/4885CA9 1736/4885

“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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