SCHEMBL21758308

SCHEMBL21758308

C=CC(=O)Nc1cccc(Oc2ncnc3c2cc(-c2ccc(CN4CCS(=O)(=O)CC4)cc2)n3COCC[Si](C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 7/20 0.43
BRAF P15056 3/20 0.41
RAF1 P04049 3/20 0.41
EGFR P00533 5/20 0.40
BTK Q06187 4/20 0.40
MAP2K7 O14733 1/20 0.39
JAK2 O60674 3/20 0.37
BLK P51451 1/20 0.37
BMX P51813 1/20 0.37
CTSC P53634 1/20 0.37
JAK1 P23458 1/20 0.36
FGFR1 P11362 1/20 0.36
FGFR2 P21802 1/20 0.36
FGFR4 P22455 1/20 0.36
FGFR3 P22607 1/20 0.36
PTK2 Q05397 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
SCHEMBL21484367 0.86 EGFR (0.51) JAK3EGFRBTKJAK2BLK
SCHEMBL21515873 0.80 RAF1 (0.37) JAK3BRAFRAF1JAK2JAK1
SCHEMBL21484328 0.79 EGFR (0.47) JAK3BRAFRAF1EGFRBTK
SCHEMBL29538509 0.78 JAK3 (0.46) JAK3EGFRBTKJAK2BLK
SCHEMBL21484313 0.77 MEN1 (0.38) JAK3JAK2JAK1PTK2
SCHEMBL21515827 0.76 EGFR (0.52) JAK3EGFRBTKJAK2BLK
SCHEMBL21758128 0.75 EGFR (0.54) JAK3EGFRBTKJAK2BLK
SCHEMBL21758097 0.74 EGFR (0.39) JAK3BRAFRAF1EGFRBTK
SCHEMBL21484354 0.74 TLR7 (0.34) JAK3BTKJAK2JAK1
SCHEMBL21515951 0.73 EGFR (0.49) JAK3EGFRJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200062749-A1 PYRROLO-AROMATIC HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF THE NATIONAL INSTITUTES OF PHARMACEUTICAL RESEARCH AND DEVELOPMENT (NIP) (CN) 2020-02-27 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-20200062749-A1 PYRROLO-AROMATIC HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF BTK, SYK, ITK JAK3 33/4885BRAF 25/4885RAF1 67/4885

“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.