SCHEMBL10270887

SCHEMBL10270887

COC(=O)[C@H]1CC[C@@H](Nc2cc(OCCN3CCCCC3)ncc2N)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
EHMT2 Q96KQ7 3/20 0.38
DNMT1 P26358 1/20 0.38
HTR4 Q13639 4/20 0.37
NSD2 O96028 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
PSMB1 P20618 1/20 0.36
PSMB5 P28074 1/20 0.36
PSMB2 P49721 1/20 0.36
BMPR1B O00238 1/20 0.36
BMPR1A P36894 1/20 0.36
TGFBR1 P36897 1/20 0.36
ACVRL1 P37023 1/20 0.36
ACVR1 Q04771 1/20 0.36
GLA P06280 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL573091 1.00 PDGFRB (0.39) PDGFRBPDGFRAEHMT2DNMT1HTR4
SCHEMBL571822 0.90 HRH3 (0.41) PDGFRBPDGFRAEHMT2DNMT1HTR2A
SCHEMBL571738 0.90 HRH3 (0.39) EHMT2DNMT1KDM4EHTR2AHTR2C
SCHEMBL15191656 0.90 HRH3 (0.41) PDGFRBPDGFRAEHMT2DNMT1HTR2A
SCHEMBL572250 0.88 HRH3 (0.38) EHMT2DNMT1HTR2AHTR2CHTR2B
SCHEMBL572249 0.88 HRH3 (0.38) EHMT2DNMT1HTR2AHTR2CHTR2B
SCHEMBL571748 0.87 HRH3 (0.39) EHMT2NSD2HTR2AHTR2CHTR2B
SCHEMBL571749 0.87 HRH3 (0.39) EHMT2NSD2HTR2AHTR2CHTR2B
SCHEMBL10270888 0.86 KDM4E (0.43) PDGFRBPDGFRAEHMT2DNMT1KDM4E
SCHEMBL572765 0.86 KDM4E (0.43) PDGFRBPDGFRAEHMT2DNMT1KDM4E

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 11 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-20160046625-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE AMGEN INC (US) 2016-02-18 US disclosed
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-9115127-B2 Benzimidazole and azabenzimidazole compounds that inhibit anaplastic lymphoma kinase AMGEN INC. (US) 2015-08-25 US disclosed
US-9115127-B2 Benzimidazole and azabenzimidazole compounds that inhibit anaplastic lymphoma kinase AMGEN INC. (US) 2015-08-25 US disclosed
US-20140350044-A1 BENZOQUINOLINE INHIBITORS OF VESICULAR MONOAMINE TRANSPORTER 2 AUSPEX PHARMACEUTICALS, INC. 2014-11-27 US disclosed
US-20130217668-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE AMGEN INC. (US) 2013-08-22 US disclosed
US-20130217668-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE AMGEN INC. (US) 2013-08-22 US disclosed
US-20130217668-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE AMGEN INC. (US) 2013-08-22 US 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 (3 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 PDGFRB 692/4885PDGFRA 781/4885EHMT2 1121/4885
US-20140350044-A1 BENZOQUINOLINE INHIBITORS OF VESICULAR MONOAMINE TRANSPORTER 2 SLC18A2, SLC6A2, SLC18A1 PDGFRB 2911/4885PDGFRA 3337/4885EHMT2 726/4885
US-20130217668-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE BCL6, DCK, FLI1 PDGFRB 692/4885PDGFRA 781/4885EHMT2 1121/4885

“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.