SCHEMBL21311005

SCHEMBL21311005

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.38
▸ PIK3CA P42336 2/20 0.38
▸ MAP4K4 O95819 1/20 0.36
▸ GPR119 Q8TDV5 3/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ LIPC P11150 1/20 0.35
▸ LIPG Q9Y5X9 1/20 0.35
▸ ESR2 Q92731 1/20 0.34
▸ DGAT2 Q96PD7 1/20 0.34
▸ INSR P06213 2/20 0.34
▸ ITK Q08881 2/20 0.34
▸ RORC P51449 1/20 0.33
▸ MMP3 P08254 1/20 0.33
▸ MMP7 P09237 1/20 0.33
▸ MMP10 P09238 1/20 0.33
▸ MMP8 P22894 1/20 0.33
▸ MMP12 P39900 1/20 0.33
▸ CKS1B P61024 1/20 0.33
▸ SKP1 P63208 1/20 0.33
▸ SKP2 Q13309 1/20 0.33

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
SCHEMBL21311004 0.84 CNR2 (0.35) NR1H2PIK3CAMAP4K4GPR119CNR2
SCHEMBL21311020 0.78 EGFR (0.44) GPR119
SCHEMBL21310756 0.77 PDE4B (0.49) CNR2
SCHEMBL21310751 0.75 EGFR (0.48) CNR2CHEK2
SCHEMBL28835616 0.75 NR1H2 (0.56) NR1H2PIK3CAGPR119ESR2DGAT2
SCHEMBL22944325 0.73 MAPK1 (0.44) NR1H2PIK3CAGPR119ESR2RORC
SCHEMBL21310799 0.73 QDPR (0.48) CNR2
SCHEMBL22954496 0.73 NR1H2 (0.44) NR1H2PIK3CAESR2
SCHEMBL21311103 0.73 CNR2 (0.34) PIK3CACNR2INSRITK
SCHEMBL31749917 0.73 CDK9 (0.39) NR1H2GPR119ESR2

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 NR1H2 3872/4885PIK3CA 72/4885MAP4K4 459/4885
US-11174245-B2 Benzimidazole compounds and derivatives as EGFR inhibitors EGFR, ERBB2, ERBB3 NR1H2 3929/4885PIK3CA 65/4885MAP4K4 476/4885

“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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