SCHEMBL17271585

SCHEMBL17271585

NC(=O)c1sc(Br)nc1-c1cc(Cl)ccc1OC(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 2/20 0.42
▸ CCNE1 P24864 2/20 0.42
▸ CDK2 P24941 2/20 0.42
▸ DBF4 Q9UBU7 2/20 0.42
▸ JAK2 O60674 12/20 0.40
▸ JAK1 P23458 12/20 0.40
▸ CCNT1 O60563 1/20 0.40
▸ CSNK2A2 P19784 1/20 0.40
▸ CSNK1A1 P48729 1/20 0.40
▸ CSNK1D P48730 1/20 0.40
▸ CDK9 P50750 1/20 0.40
▸ CSNK2B P67870 1/20 0.40
▸ CSNK2A1 P68400 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ TYK2 P29597 5/20 0.38
▸ JAK3 P52333 5/20 0.38
▸ LRRK2 Q5S007 2/20 0.38
▸ F11 P03951 2/20 0.38
▸ PTGDR2 Q9Y5Y4 1/20 0.37
▸ MEN1 O00255 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
SCHEMBL17271610 0.84 ALDH1A1 (0.47) CDC7CCNE1CDK2DBF4JAK2
SCHEMBL17271586 0.82 JAK2 (0.39) JAK2JAK1L3MBTL1TYK2JAK3
SCHEMBL17272036 0.81 JAK2 (0.49) CDC7CCNE1CDK2DBF4JAK2
SCHEMBL17271940 0.80 JAK2 (0.47) JAK2JAK1
SCHEMBL17271484 0.80 JAK2 (0.58) JAK2JAK1
SCHEMBL17271570 0.79 CDC7 (0.48) CDC7CCNE1CDK2DBF4CCNT1
SCHEMBL17271748 0.78 JAK2 (0.61) JAK2JAK1
SCHEMBL17272290 0.76 JAK2 (0.44) JAK2JAK1
SCHEMBL17271616 0.76 JAK2 (0.60) JAK2JAK1
SCHEMBL22801298 0.74 JAK2 (0.41) JAK2JAK1TYK2JAK3LRRK2

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 10 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-20190322661-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-10-24 — — US disclosed
US-20180305355-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-10-25 — — 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
EP-3145929-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS WHICH ARE JAK INHIBITORS F. Hoffmann-La Roche AG (CH) 2017-03-29 — — EP 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
WO-2015177326-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS WHICH ARE JAK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2015-11-26 — — WO 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 (5 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 CDC7 208/4885CCNE1 798/4885CDK2 24/4885
US-20180305355-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, FLT3 CDC7 208/4885CCNE1 798/4885CDK2 24/4885
US-20150336962-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, FLT3 CDC7 208/4885CCNE1 798/4885CDK2 24/4885
US-20160237086-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, FLT3 CDC7 208/4885CCNE1 798/4885CDK2 24/4885
US-20170145020-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, FLT3 CDC7 208/4885CCNE1 798/4885CDK2 24/4885

“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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