Sugi Predict

Sugi Predict / Compounds / SCHEMBL571748

SCHEMBL571748

SCHEMBL571748

Nc1cnc(OCCN2CCCCC2)cc1N[C@H]1CC[C@@H](C(=O)N2CCN(C(=O)O)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 3/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ TUBB4A P04350 2/20 0.37
▸ TUBB P07437 2/20 0.37
▸ TUBA3C P0DPH7 2/20 0.37
▸ TUBA1B P68363 2/20 0.37
▸ TUBA4A P68366 2/20 0.37
▸ TUBB4B P68371 2/20 0.37
▸ TUBB3 Q13509 2/20 0.37
▸ TUBB2A Q13885 2/20 0.37
▸ TUBB8 Q3ZCM7 2/20 0.37
▸ TUBA3E Q6PEY2 2/20 0.37
▸ TUBA1A Q71U36 2/20 0.37
▸ TUBA1C Q9BQE3 2/20 0.37
▸ TUBB6 Q9BUF5 2/20 0.37
▸ TUBB2B Q9BVA1 2/20 0.37
▸ TUBB1 Q9H4B7 2/20 0.37
▸ HTR2A P28223 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ HTR2B P41595 1/20 0.35

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
SCHEMBL571749 1.00 HRH3 (0.39) HRH3SIGMAR1TUBB4ATUBBTUBA3C
SCHEMBL573512 0.92 EHMT2 (0.40) HTR2AHTR2CHTR2BBMPR1BBMPR1A
SCHEMBL571738 0.91 HRH3 (0.39) HRH3HTR2AHTR2CHTR2BBMPR1B
SCHEMBL15191656 0.89 HRH3 (0.41) HRH3HTR2AHTR2CHTR2BBMPR1B
SCHEMBL571822 0.89 HRH3 (0.41) HRH3HTR2AHTR2CHTR2BBMPR1B
SCHEMBL572773 0.88 HRH3 (0.34) HRH3HTR2AHTR2CHTR2BNSD2
SCHEMBL15193270 0.88 HRH3 (0.34) HRH3HTR2AHTR2CHTR2BNSD2
SCHEMBL573840 0.88 NSD2 (0.46) HRH3NSD2EHMT2
SCHEMBL10270887 0.87 PDGFRB (0.39) HTR2AHTR2CHTR2BBMPR1BBMPR1A
SCHEMBL573091 0.87 PDGFRB (0.39) HTR2AHTR2CHTR2BBMPR1BBMPR1A

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 4105/4885SIGMAR1 4247/4885TUBB4A 890/4885
US-20130217668-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE BCL6, DCK, FLI1 HRH3 4105/4885SIGMAR1 4247/4885TUBB4A 890/4885

“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.