SCHEMBL21311004

SCHEMBL21311004

CC(C)(O)Cn1c(N)nc2cc(C3=CN(C(=O)OC(C)(C)C)CC3)ccc21

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.35
▸ LIPC P11150 1/20 0.35
▸ LIPG Q9Y5X9 1/20 0.35
▸ BTK Q06187 1/20 0.34
▸ PIK3CA P42336 2/20 0.34
▸ NR1H2 P55055 2/20 0.33
▸ INSR P06213 2/20 0.33
▸ ITK Q08881 2/20 0.33
▸ GPR119 Q8TDV5 1/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ EGFR P00533 5/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ F2R P25116 1/20 0.32
▸ PDE10A Q9Y233 1/20 0.32

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
SCHEMBL21311005 0.84 NR1H2 (0.38) CNR2LIPCLIPGPIK3CANR1H2
SCHEMBL21310799 0.78 QDPR (0.48) CNR2BACE1
SCHEMBL21311020 0.77 EGFR (0.44) GPR119EGFR
SCHEMBL21311103 0.75 CNR2 (0.34) CNR2PIK3CAINSRITKEGFR
SCHEMBL21310756 0.75 PDE4B (0.49) CNR2EGFR
SCHEMBL22725488 0.73 CNR2 (0.33) CNR2PIK3CAINSRITKEGFR
SCHEMBL21311076 0.73 HTR1D (0.41) CNR2PIK3CABACE1
SCHEMBL6420487 0.71 KDM4E (0.50) CNR2BACE1F2R
SCHEMBL21310908 0.70 RPS6KA5 (0.49) CNR2BACE1F2R
SCHEMBL21310941 0.70 TLR7 (0.58) CNR2ITK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11174245-B2 Benzimidazole compounds and derivatives as EGFR inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-11-16 — — US disclosed
US-20200377476-A1 NEW BENZIMIDAZOLE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-12-03 — — US disclosed
WO-2019162323-A1 NEW BENZIMIDAZOLE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-08-29 — — WO 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 (2 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-20200377476-A1 NEW BENZIMIDAZOLE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS EGFR, ERBB2, ERBB3 CNR2 1261/4885LIPC 4726/4885LIPG 3313/4885
US-11174245-B2 Benzimidazole compounds and derivatives as EGFR inhibitors EGFR, ERBB2, ERBB3 CNR2 1574/4885LIPC 4705/4885LIPG 3100/4885

“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.

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