SCHEMBL21493571

SCHEMBL21493571

C[Si](C)(C)CCOCn1ncc(C(N)=O)c1-c1cc(Cl)ccc1OC(F)F

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 17/20 0.38
JAK1 P23458 17/20 0.38
TYK2 P29597 4/20 0.38
JAK3 P52333 4/20 0.38
LRRK2 Q5S007 3/20 0.38
F11 P03951 1/20 0.37
SCN9A Q15858 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36

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
SCHEMBL17271442 0.86 F11 (0.34) JAK2JAK1TYK2JAK3LRRK2
SCHEMBL17271435 0.82 MEN1 (0.35) JAK2JAK1TYK2JAK3LRRK2
SCHEMBL17282255 0.81 P2RX3 (0.39) JAK2JAK1TYK2JAK3LRRK2
SCHEMBL29648500 0.80 JAK2 (0.37) JAK2JAK1TYK2JAK3F11
SCHEMBL17271462 0.79 F11 (0.35) JAK2JAK1TYK2JAK3LRRK2
SCHEMBL28695876 0.79 JAK2 (0.56) JAK2JAK1TYK2JAK3LRRK2
SCHEMBL29488743 0.79 JAK2 (0.56) JAK2JAK1TYK2JAK3LRRK2
SCHEMBL28695877 0.78 JAK2 (0.55) JAK2JAK1TYK2JAK3LRRK2
SCHEMBL29488719 0.78 JAK2 (0.55) JAK2JAK1TYK2JAK3LRRK2
SCHEMBL11027100 0.78 JAK2 (0.39) 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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 JAK2 2/4885JAK1 4/4885TYK2 30/4885

“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.