SCHEMBL19259642

SCHEMBL19259642

O=C(Nc1c[nH]nc1-c1cc(SC2CC2)ccc1OC(F)F)c1cnc2cccnn12

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 15/20 0.61
JAK1 P23458 15/20 0.61
TYK2 P29597 5/20 0.55
JAK3 P52333 5/20 0.55
IRAK4 Q9NWZ3 2/20 0.36
HSD11B1 P28845 1/20 0.35
PDE4A P27815 2/20 0.35
PDE4B Q07343 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35
LRRK2 Q5S007 1/20 0.35

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
SCHEMBL19259510 0.89 JAK2 (0.76) JAK2JAK1TYK2JAK3IRAK4
SCHEMBL19259672 0.88 JAK2 (0.65) JAK2JAK1TYK2JAK3IRAK4
SCHEMBL30613885 0.88 JAK2 (0.65) JAK2JAK1TYK2JAK3IRAK4
SCHEMBL19259461 0.86 JAK2 (0.73) JAK2JAK1TYK2JAK3IRAK4
SCHEMBL30613863 0.86 JAK2 (0.73) JAK2JAK1TYK2JAK3IRAK4
SCHEMBL19275290 0.85 JAK2 (0.44) JAK2JAK1TYK2JAK3PDE4A
SCHEMBL18893894 0.80 JAK2 (0.58) JAK2JAK1TYK2JAK3IRAK4
SCHEMBL19259579 0.80 JAK2 (0.53) JAK2JAK1TYK2JAK3IRAK4
SCHEMBL20560529 0.78 JAK2 (0.57) JAK2JAK1TYK2JAK3IRAK4
SCHEMBL20560885 0.78 JAK2 (0.57) JAK2JAK1TYK2JAK3IRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11795170-B2 Therapeutic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2023-10-24 US disclosed
US-11795170-B2 Therapeutic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2023-10-24 US disclosed
US-11795170-B2 Therapeutic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2023-10-24 US disclosed
US-11649241-B2 Pyrazolochlorophenyl compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2023-05-16 US disclosed
US-11649241-B2 Pyrazolochlorophenyl compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2023-05-16 US disclosed
EP-3416967-B1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2022-02-09 EP disclosed
EP-3416967-B1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2022-02-09 EP disclosed
CN-108473501-B Therapeutic compounds, compositions and methods of use thereof 豪夫迈·罗氏有限公司 2021-07-16 CN disclosed
US-20210179626-A1 PYRAZOLOCHLOROPHENYL COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-06-17 US disclosed
US-20210009599-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-01-14 US disclosed
US-20210009599-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-01-14 US disclosed
EP-3416967-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF H. Hoffnabb-La Roche Ag (CH) 2018-12-26 EP disclosed
US-20180354959-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-12-13 US disclosed
WO-2017140825-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2017-08-24 WO disclosed
WO-2017140825-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2017-08-24 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-20210179626-A1 PYRAZOLOCHLOROPHENYL COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF JAK1, JAK2, JAK3 JAK2 2/4885JAK1 1/4885TYK2 20/4885
US-11795170-B2 Therapeutic compounds, compositions and methods of use thereof JAK2, JAK1, JAK3 JAK2 1/4885JAK1 2/4885TYK2 37/4885
US-20180354959-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF JAK2, JAK1, JAK3 JAK2 1/4885JAK1 2/4885TYK2 40/4885
US-11649241-B2 Pyrazolochlorophenyl compounds, compositions and methods of use thereof JAK1, JAK2, JAK3 JAK2 2/4885JAK1 1/4885TYK2 20/4885
US-20210009599-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF JAK2, JAK1, JAK3 JAK2 1/4885JAK1 2/4885TYK2 37/4885

“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.