SCHEMBL21758128

SCHEMBL21758128

C=CC(=O)Nc1cccc(Oc2c(Cl)cnc3c2cc(-c2ccc(N4CCN(C)CC4)cc2)n3COCC[Si](C)(C)C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.54
JAK3 P52333 6/20 0.54
JAK2 O60674 4/20 0.54
BLK P51451 3/20 0.54
BMX P51813 2/20 0.54
BTK Q06187 6/20 0.51
CTSC P53634 4/20 0.51
FLT3 P36888 3/20 0.51
NUAK1 O60285 2/20 0.51
ITK Q08881 2/20 0.51
PLK4 O00444 1/20 0.51
GAK O14976 1/20 0.51
PTK2 Q05397 1/20 0.51
ERBB4 Q15303 1/20 0.51
DCLK3 Q9C098 1/20 0.51
NUAK2 Q9H093 1/20 0.51
EML4 Q9HC35 1/20 0.51
EIF2AK4 Q9P2K8 1/20 0.51
ALK Q9UM73 1/20 0.51
KCNH2 Q12809 2/20 0.45

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
SCHEMBL23049228 0.88 EGFR (0.44) EGFRJAK3JAK2BLKBMX
SCHEMBL21484367 0.87 EGFR (0.51) EGFRJAK3JAK2BLKBMX
SCHEMBL21484391 0.84 EGFR (0.44) EGFRCTSCNUAK1NUAK2KDR
SCHEMBL21515951 0.82 EGFR (0.49) EGFRJAK3JAK2
SCHEMBL29538509 0.80 JAK3 (0.46) EGFRJAK3JAK2BLKBMX
SCHEMBL21484323 0.79 EGFR (0.62) EGFRJAK3JAK2BLKBMX
SCHEMBL21515827 0.78 EGFR (0.52) EGFRJAK3JAK2BLKBMX
SCHEMBL21758097 0.76 EGFR (0.39) EGFRJAK3JAK2BLKBMX
SCHEMBL21484370 0.75 PIM1 (0.40) ALK
SCHEMBL29538822 0.75 PIM1 (0.40) ALK

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 EGFR 1705/4885JAK3 33/4885JAK2 11/4885

“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.