SCHEMBL21311020

SCHEMBL21311020

CC(C)(O)Cn1c(N)nc2cc(C3CCN(C(=O)OC(C)(C)C)CC3)ccc21

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 9/20 0.44
▸ NAMPT P43490 1/20 0.43
▸ PDE4B Q07343 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ DDB1 Q16531 1/20 0.42
▸ CRBN Q96SW2 1/20 0.42
▸ GPR119 Q8TDV5 2/20 0.41
▸ SYK P43405 1/20 0.41
▸ TLR9 Q9NR96 1/20 0.41
▸ TLR8 Q9NR97 1/20 0.41
▸ TLR7 Q9NYK1 1/20 0.41
▸ WNT3A P56704 1/20 0.40
▸ IGF1R P08069 1/20 0.40

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
SCHEMBL21310756 0.94 PDE4B (0.49) EGFRPDE4BKDM4EMAPTTHRB
SCHEMBL21310751 0.91 EGFR (0.48) EGFRPDE4BKDM4E
SCHEMBL21310800 0.83 EGFR (0.51) EGFRTLR9TLR8TLR7
SCHEMBL21311022 0.82 OPRM1 (0.47) EGFRNAMPTPDE4BKDM4EMAPT
SCHEMBL21310796 0.82 RORC (0.43) EGFRNAMPTPDE4BKDM4EMAPT
SCHEMBL21311035 0.81 EGFR (0.52) EGFRTLR9TLR8TLR7
SCHEMBL21310985 0.80 EGFR (0.42) EGFRTLR9TLR8TLR7
SCHEMBL21310817 0.80 EGFR (0.56) EGFR
SCHEMBL21311051 0.79 EGFR (0.44) EGFRTLR9TLR8TLR7
SCHEMBL21311005 0.78 NR1H2 (0.38) GPR119

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 EGFR 1/4885NAMPT 3885/4885PDE4B 3913/4885
US-11174245-B2 Benzimidazole compounds and derivatives as EGFR inhibitors EGFR, ERBB2, ERBB3 EGFR 1/4885NAMPT 3532/4885PDE4B 4016/4885

“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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