SCHEMBL21758087

SCHEMBL21758087

CCOP(=O)(CC(=O)Nc1cccc(Oc2ncnc3c2cc(-c2ccc(N4CCN(C)CC4)cc2)n3COCC[Si](C)(C)C)c1)OCC

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.41
NUAK2 Q9H093 2/20 0.40
NUAK1 O60285 1/20 0.40
ERBB2 P04626 1/20 0.38
JAK3 P52333 4/20 0.37
JAK2 O60674 2/20 0.36
BLK P51451 1/20 0.36
BMX P51813 1/20 0.36
CTSC P53634 1/20 0.36
BTK Q06187 2/20 0.36
JAK1 P23458 1/20 0.36
KCNH2 Q12809 1/20 0.36
CD69 Q07108 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) EGFRNUAK2NUAK1ERBB2JAK3
SCHEMBL29538509 0.85 JAK3 (0.46) EGFRNUAK1ERBB2JAK3JAK2
SCHEMBL21758097 0.85 EGFR (0.39) EGFRNUAK2NUAK1ERBB2JAK3
SCHEMBL21515827 0.82 EGFR (0.52) EGFRNUAK1ERBB2JAK3JAK2
SCHEMBL21484319 0.80 EGFR (0.39) EGFRCTSC
SCHEMBL21751158 0.80 EGFR (0.45) EGFRNUAK2NUAK1ERBB2JAK3
SCHEMBL21484378 0.80 EGFR (0.45) EGFRNUAK2NUAK1ERBB2JAK3
SCHEMBL21484369 0.78 KIT (0.33) EGFRNUAK1ERBB2JAK3JAK2
SCHEMBL21516142 0.78 EGFR (0.37) EGFRNUAK1ERBB2JAK3JAK2
SCHEMBL21484372 0.76 PIM1 (0.32) EGFR

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-3556761-B1 PYRROLO-AROMATIC HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF THE NATIONAL INSTITUTES OF PHARMACEUTICAL RES AND DEVELOPMENT NIP (CN) 2021-03-03 EP disclosed
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 1705/4885NUAK2 2479/4885NUAK1 1688/4885

“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.