SCHEMBL11949031

SCHEMBL11949031

CCCC(=O)Nc1cc2nc(-c3ccc(F)cc3)[nH]c2cc1N(CC)CC

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 1/20 0.48
▸ CHEK2 O96017 3/20 0.47
▸ GSK3B P49841 1/20 0.46
▸ ADORA3 P0DMS8 1/20 0.46
▸ ADORA2A P29274 1/20 0.46
▸ ADORA1 P30542 1/20 0.46
▸ TCF4 P15884 1/20 0.44
▸ CTNNB1 P35222 1/20 0.44
▸ MMP2 P08253 1/20 0.43
▸ MMP9 P14780 1/20 0.43
▸ MMP8 P22894 1/20 0.43
▸ MMP13 P45452 1/20 0.43
▸ EGFR P00533 1/20 0.43

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
SCHEMBL11949036 0.94 NR4A2 (0.47) NR4A2CHEK2MMP2MMP9MMP8
SCHEMBL11949014 0.91 EGFR (0.53) CHEK2ADORA3ADORA1MMP2MMP9
SCHEMBL3096830 0.89 MMP2 (0.49) CHEK2ADORA3ADORA2AADORA1MMP2
SCHEMBL11949034 0.88 NR4A2 (0.51) NR4A2CHEK2TCF4CTNNB1
SCHEMBL11949021 0.88 KDR (0.51) CHEK2ADORA3
SCHEMBL11949039 0.86 NR4A2 (0.55) NR4A2CHEK2MMP2MMP9MMP8
SCHEMBL11949027 0.85 NR4A2 (0.46) NR4A2CHEK2TCF4CTNNB1
SCHEMBL11948994 0.84 EGFR (0.52) CHEK2MMP2MMP9MMP8MMP13
SCHEMBL11949037 0.84 MMP2 (0.55) NR4A2CHEK2MMP2MMP9MMP8
SCHEMBL11949004 0.83 MMP2 (0.48) ADORA3ADORA1MMP2MMP9MMP8

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-8232410-B2 Benzimidazoles and pharmaceutical compositions thereof THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2012-07-31 — — US disclosed
US-8232410-B2 Benzimidazoles and pharmaceutical compositions thereof THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2012-07-31 — — US disclosed
US-20100256203-A1 BENZIMIDAZOLES AND PHARMACEUTICAL COMPOSITIONS THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK 2010-10-07 — — US disclosed
US-20100256203-A1 BENZIMIDAZOLES AND PHARMACEUTICAL COMPOSITIONS THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK 2010-10-07 — — US disclosed
WO-2008130669-A1 BENZIMIDAZOLES AND PHARMACEUTICAL COMPOSITIONS THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2008-10-30 — — 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 (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-20100256203-A1 BENZIMIDAZOLES AND PHARMACEUTICAL COMPOSITIONS THEREOF TBCD, TBC1D5, CFTR NR4A2 4742/4885CHEK2 3766/4885GSK3B 3176/4885

“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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