SCHEMBL572303

SCHEMBL572303

CC1CN(C(=O)OC(C)(C)C)CCN1C(=O)C1CCC(Nc2cc(OCCN3CCCCC3)ncc2N)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.41
EHMT2 Q96KQ7 1/20 0.41
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37
SMARCA2 P51531 1/20 0.35
SMARCA4 P51532 1/20 0.35
PBRM1 Q86U86 1/20 0.35
HDAC1 Q13547 1/20 0.35
SETD7 Q8WTS6 1/20 0.34
GPR119 Q8TDV5 5/20 0.34
HPGD P15428 1/20 0.34
PIK3CD O00329 1/20 0.34
GABRA5 P31644 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
TP53 P04637 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
SCHEMBL10270815 1.00 NSD2 (0.41) NSD2EHMT2HRH2HRH1SMARCA2
SCHEMBL15192268 1.00 NSD2 (0.41) NSD2EHMT2HRH2HRH1SMARCA2
SCHEMBL15193270 0.90 HRH3 (0.34) NSD2EHMT2PIK3CD
SCHEMBL572773 0.90 HRH3 (0.34) NSD2EHMT2PIK3CD
SCHEMBL573840 0.90 NSD2 (0.46) NSD2EHMT2HRH2HRH1HPGD
SCHEMBL573185 0.89 NSD2 (0.39) NSD2EHMT2HRH2HRH1SETD7
SCHEMBL572235 0.89 NSD2 (0.39) NSD2EHMT2HRH2HRH1SETD7
SCHEMBL573186 0.89 NSD2 (0.39) NSD2EHMT2HRH2HRH1SETD7
SCHEMBL10270601 0.86 NSD2 (0.51) NSD2EHMT2GPR119HPGDTP53
SCHEMBL571748 0.80 HRH3 (0.39) NSD2EHMT2

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 NSD2 851/4885EHMT2 1121/4885HRH2 4666/4885
US-20130217668-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE BCL6, DCK, FLI1 NSD2 851/4885EHMT2 1121/4885HRH2 4666/4885

“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.