SCHEMBL573176

SCHEMBL573176

CC(C)(C)C1CN(C(=O)[C@H]2CC[C@@H](Nc3cc(Cl)ncc3[N+](=O)[O-])CC2)CCN1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCTPP1 Q9H773 1/20 0.40
MAPT P10636 5/20 0.36
MAPK1 P28482 5/20 0.36
HCAR3 P49019 3/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
LMNA P02545 2/20 0.32
HSD11B1 P28845 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL573175 1.00 DCTPP1 (0.40) DCTPP1MAPTMAPK1HCAR3CYP1A2
SCHEMBL573174 1.00 DCTPP1 (0.40) DCTPP1MAPTMAPK1HCAR3CYP1A2
SCHEMBL15192170 0.83 DCTPP1 (0.40) DCTPP1MAPTMAPK1HCAR3CYP1A2
SCHEMBL571705 0.83 DCTPP1 (0.40) DCTPP1MAPTMAPK1HCAR3CYP1A2
SCHEMBL572364 0.83 DCTPP1 (0.44) DCTPP1MAPTMAPK1HCAR3CYP1A2
SCHEMBL572590 0.80 CNR1 (0.42) DCTPP1MAPTMAPK1HTTALDH1A1
SCHEMBL572591 0.80 CNR1 (0.42) DCTPP1MAPTMAPK1HTTALDH1A1
SCHEMBL573184 0.80 HCAR3 (0.43) DCTPP1MAPTMAPK1HCAR3CYP1A2
SCHEMBL15192877 0.79 SETD7 (0.37) DCTPP1MAPTMAPK1HTTALDH1A1
SCHEMBL572206 0.79 SETD7 (0.37) DCTPP1MAPTMAPK1HTTALDH1A1

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-20160046625-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE AMGEN INC (US) 2016-02-18 US disclosed
US-9115127-B2 Benzimidazole and azabenzimidazole compounds that inhibit anaplastic lymphoma kinase AMGEN INC. (US) 2015-08-25 US disclosed
US-20130217668-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE AMGEN INC. (US) 2013-08-22 US disclosed
EP-2611784-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE Amgen, Inc (US) 2013-07-10 EP disclosed
WO-2012018668-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE AMGEN INC. (US) 2012-02-09 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-20160046625-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE BCL6, DCK, FLI1 DCTPP1 1233/4885MAPT 3852/4885MAPK1 156/4885
US-20130217668-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE BCL6, DCK, FLI1 DCTPP1 1233/4885MAPT 3852/4885MAPK1 156/4885

“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.