SCHEMBL2646419

SCHEMBL2646419

CC(C)(C)OC(=O)N1CCCC1c1cc(N)c(N)cc1Oc1ccc(-c2ccccc2F)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 3/20 0.42
▸ GCK P35557 6/20 0.40
▸ UCHL1 P09936 4/20 0.40
▸ DPP4 P27487 1/20 0.40
▸ MCHR1 Q99705 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ ROCK2 O75116 1/20 0.38
▸ USP30 Q70CQ3 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ AADAT Q8N5Z0 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
SCHEMBL2645801 0.90 BTK (0.43) BTKGCKUCHL1MCHR1LMNA
SCHEMBL2645042 0.81 GCK (0.47) GCKMEN1KMT2A
SCHEMBL28525767 0.74 RIPK1 (0.46) UCHL1LMNATSHRMEN1ALDH1A1
SCHEMBL19174905 0.74 RIPK1 (0.46) UCHL1LMNATSHRMEN1ALDH1A1
SCHEMBL29746968 0.72 UCHL1 (0.47) UCHL1LMNATSHRUSP30MEN1
SCHEMBL31226469 0.72 ALOX5AP (0.45) UCHL1LMNATSHRMEN1ALDH1A1
SCHEMBL30679850 0.72 ALOX5AP (0.45) UCHL1LMNATSHRMEN1ALDH1A1
SCHEMBL2695856 0.72 NR1H2 (0.46) UCHL1LMNATSHRMEN1ALDH1A1
SCHEMBL31226409 0.72 ALOX5AP (0.45) UCHL1LMNATSHRMEN1ALDH1A1
SCHEMBL1922847 0.72 NR1H2 (0.46) UCHL1LMNATSHRMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1702919-B1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE MSD KK (JP) 2012-05-30 — — EP disclosed
US-7728025-B2 2-heteroaryl-substituted benzimidazole derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-06-01 — — US disclosed
US-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative MSD K.K. (JP) 2008-03-20 — — US disclosed
EP-1702919-A1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-09-20 — — EP 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-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative GCK, GCKR, HK1 BTK 2282/4885GCK 1/4885UCHL1 1429/4885

“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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