SCHEMBL6270643

SCHEMBL6270643

CC(C)(O)Cn1c(N)nc2cc(C=O)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.39
TLR8 Q9NR97 1/20 0.39
NUDT1 P36639 1/20 0.39
CNR2 P34972 2/20 0.38
F2R P25116 1/20 0.37
HDAC1 Q13547 6/20 0.36
HTT P42858 2/20 0.36
POLB P06746 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HDAC8 Q9BY41 2/20 0.36
CYP2D6 P10635 2/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2A6 P11509 1/20 0.36
HDAC3 O15379 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36

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
SCHEMBL21310839 0.90 TLR8 (0.39) TLR8F2RHTTPOLBCYP2D6
SCHEMBL30377542 0.90 TLR8 (0.39) TLR8F2RHTTPOLBCYP2D6
SCHEMBL21310827 0.85 TLR8 (0.40) BACE1TLR8NUDT1CNR2HDAC1
SCHEMBL6270636 0.84 CNR2 (0.40) CNR2HDAC1HDAC8CYP2D6PTGDR2
SCHEMBL6420487 0.82 KDM4E (0.50) BACE1TLR8NUDT1CNR2F2R
SCHEMBL21310819 0.81 TLR8 (0.58) BACE1TLR8NUDT1CNR2F2R
SCHEMBL6271298 0.81 RPS6KA5 (0.45) BACE1TLR8NUDT1CNR2F2R
SCHEMBL21311070 0.80 TLR8 (0.41) BACE1TLR8NUDT1CNR2F2R
SCHEMBL21310822 0.80 BACE1 (0.41) BACE1TLR8NUDT1CNR2F2R
SCHEMBL21310933 0.80 RPS6KA5 (0.44) BACE1TLR8NUDT1HTTPOLB

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 5 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
US-20050209284-A1 Tec kinase inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-09-22 US disclosed
WO-2005079791-A1 THIOPHENE -2- CARBOXYLIC ACID - (1H - BENZIMIDAZOL - 2 YL) - AMIDE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE TEC KINASE ITK (INTERLEUKIN -2- INDUCIBLE T CELL KINASE) FOR THE TREATMENT OF INFLAMMATION, IMMUNOLOGICAL AND ALLERGIC DISORDERS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-09-01 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 (3 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 BACE1 3711/4885TLR8 3372/4885NUDT1 3272/4885
US-11174245-B2 Benzimidazole compounds and derivatives as EGFR inhibitors EGFR, ERBB2, ERBB3 BACE1 3748/4885TLR8 3379/4885NUDT1 2954/4885
US-20050209284-A1 Tec kinase inhibitors TEC, ITK, TXK BACE1 1163/4885TLR8 918/4885NUDT1 3541/4885

“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.