SCHEMBL21758097

SCHEMBL21758097

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.39
JAK3 P52333 3/20 0.38
JAK2 O60674 2/20 0.38
BLK P51451 1/20 0.38
BMX P51813 1/20 0.38
CTSC P53634 1/20 0.38
BTK Q06187 3/20 0.38
KCNH2 Q12809 2/20 0.38
JAK1 P23458 1/20 0.38
NUAK1 O60285 2/20 0.38
NUAK2 Q9H093 2/20 0.38
CD69 Q07108 1/20 0.37
ERBB2 P04626 2/20 0.37
BRAF P15056 4/20 0.37
RAF1 P04049 3/20 0.37
ABCB11 O95342 1/20 0.37
ESR1 P03372 1/20 0.37
CHRM2 P08172 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37

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 0.89 EGFR (0.51) EGFRJAK3JAK2BLKBMX
SCHEMBL29538509 0.88 JAK3 (0.46) EGFRJAK3JAK2BLKBMX
SCHEMBL21515827 0.85 EGFR (0.52) EGFRJAK3JAK2BLKBMX
SCHEMBL21758087 0.85 EGFR (0.41) EGFRJAK3JAK2BLKBMX
SCHEMBL21484319 0.84 EGFR (0.39) EGFRCTSCKDR
SCHEMBL21515873 0.84 RAF1 (0.37) JAK3JAK2KCNH2JAK1BRAF
SCHEMBL21484378 0.83 EGFR (0.45) EGFRJAK3JAK2BLKBMX
SCHEMBL21751158 0.83 EGFR (0.45) EGFRJAK3JAK2BLKBMX
SCHEMBL21484369 0.81 KIT (0.33) EGFRJAK3JAK2BLKBMX
SCHEMBL21516142 0.80 EGFR (0.37) EGFRJAK3JAK2BLKBMX

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 1705/4885JAK3 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.