SCHEMBL17271610

SCHEMBL17271610

COc1ccc(Cl)cc1-c1nc(Br)sc1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.47
▸ HPGD P15428 3/20 0.47
▸ HSD17B10 Q99714 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ PTGDR2 Q9Y5Y4 1/20 0.46
▸ CDC7 O00311 3/20 0.45
▸ CCNE1 P24864 3/20 0.45
▸ CDK2 P24941 3/20 0.45
▸ DBF4 Q9UBU7 3/20 0.45
▸ SLC9A1 P19634 4/20 0.43
▸ JAK2 O60674 2/20 0.43
▸ POLB P06746 1/20 0.42
▸ CCNT1 O60563 2/20 0.42
▸ CSNK2A2 P19784 2/20 0.42
▸ CSNK1A1 P48729 2/20 0.42
▸ CSNK1D P48730 2/20 0.42
▸ CDK9 P50750 2/20 0.42
▸ CSNK2B P67870 2/20 0.42
▸ CSNK2A1 P68400 2/20 0.42
▸ JAK1 P23458 1/20 0.41

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
SCHEMBL931009 0.89 ALDH1A1 (0.54) ALDH1A1HPGDKDM4EPTGDR2JAK2
SCHEMBL29488763 0.89 ALDH1A1 (0.54) ALDH1A1HPGDKDM4EPTGDR2JAK2
SCHEMBL17271585 0.84 CDC7 (0.42) PTGDR2CDC7CCNE1CDK2DBF4
SCHEMBL931090 0.83 CDC7 (0.52) ALDH1A1HPGDKDM4EPTGDR2CDC7
SCHEMBL17271570 0.82 CDC7 (0.48) CDC7CCNE1CDK2DBF4SLC9A1
SCHEMBL929779 0.80 ALDH1A1 (0.55) ALDH1A1HPGDHSD17B10KDM4ENPC1
SCHEMBL29488745 0.80 ALDH1A1 (0.55) ALDH1A1HPGDHSD17B10KDM4ENPC1
SCHEMBL930659 0.79 ALDH1A1 (0.54) ALDH1A1HPGDHSD17B10KDM4EPTGDR2
SCHEMBL22878485 0.78 ALDH1A1 (0.53) ALDH1A1HPGDHSD17B10KDM4EPTGDR2
SCHEMBL19560244 0.75 ALDH1A1 (0.48) ALDH1A1HPGDKDM4EPTGDR2JAK2

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 ALDH1A1 729/4885HPGD 2376/4885HSD17B10 1873/4885
US-20180305355-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, FLT3 ALDH1A1 729/4885HPGD 2376/4885HSD17B10 1873/4885
US-20150336962-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, FLT3 ALDH1A1 729/4885HPGD 2376/4885HSD17B10 1873/4885
US-20160237086-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, FLT3 ALDH1A1 729/4885HPGD 2376/4885HSD17B10 1873/4885
US-20170145020-A1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, FLT3 ALDH1A1 729/4885HPGD 2376/4885HSD17B10 1873/4885

“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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