SCHEMBL572773

SCHEMBL572773

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

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.34
RORC P51449 3/20 0.33
GRM1 Q13255 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
EHMT2 Q96KQ7 2/20 0.33
NSD2 O96028 1/20 0.33
LTA4H P09960 1/20 0.32
PIK3CD O00329 1/20 0.32
DNMT1 P26358 1/20 0.32
SLC6A4 P31645 1/20 0.32

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
SCHEMBL15193270 1.00 HRH3 (0.34) HRH3RORCGRM1HTR2AHTR2C
SCHEMBL572303 0.90 NSD2 (0.41) EHMT2NSD2PIK3CD
SCHEMBL15192268 0.90 NSD2 (0.41) EHMT2NSD2PIK3CD
SCHEMBL10270815 0.90 NSD2 (0.41) EHMT2NSD2PIK3CD
SCHEMBL572209 0.88 ALDH1A1 (0.40)
SCHEMBL15192982 0.88 ALDH1A1 (0.40)
SCHEMBL15192986 0.88 ALDH1A1 (0.40)
SCHEMBL571748 0.88 HRH3 (0.39) HRH3HTR2AHTR2CHTR2BEHMT2
SCHEMBL571749 0.88 HRH3 (0.39) HRH3HTR2AHTR2CHTR2BEHMT2
SCHEMBL571738 0.84 HRH3 (0.39) HRH3HTR2AHTR2CHTR2BEHMT2

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 HRH3 4105/4885RORC 2256/4885GRM1 3475/4885
US-20130217668-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE BCL6, DCK, FLI1 HRH3 4105/4885RORC 2256/4885GRM1 3475/4885

“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.