SCHEMBL573512

SCHEMBL573512

Nc1cnc(OCCN2CCCCC2)cc1NC1CCN(C(=O)O)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 3/20 0.40
NSD2 O96028 2/20 0.40
DNMT1 P26358 1/20 0.37
KDM1A O60341 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
BMPR1B O00238 1/20 0.37
BMPR1A P36894 1/20 0.37
TGFBR1 P36897 1/20 0.37
ACVRL1 P37023 1/20 0.37
ACVR1 Q04771 1/20 0.37
HTR4 Q13639 3/20 0.36
LTA4H P09960 1/20 0.36
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 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
SCHEMBL571749 0.92 HRH3 (0.39) EHMT2NSD2HTR2AHTR2CHTR2B
SCHEMBL571748 0.92 HRH3 (0.39) EHMT2NSD2HTR2AHTR2CHTR2B
SCHEMBL571738 0.88 HRH3 (0.39) EHMT2DNMT1HTR2AHTR2CHTR2B
SCHEMBL10270601 0.87 NSD2 (0.51) EHMT2NSD2
SCHEMBL15191656 0.86 HRH3 (0.41) EHMT2DNMT1HTR2AHTR2CHTR2B
SCHEMBL571822 0.86 HRH3 (0.41) EHMT2DNMT1HTR2AHTR2CHTR2B
SCHEMBL572492 0.85 ALDH1A1 (0.45) EHMT2NSD2LTA4HKDM4ESMN1; SMN2
SCHEMBL572773 0.84 HRH3 (0.34) EHMT2NSD2DNMT1HTR2AHTR2C
SCHEMBL15193270 0.84 HRH3 (0.34) EHMT2NSD2DNMT1HTR2AHTR2C
SCHEMBL573091 0.84 PDGFRB (0.39) EHMT2NSD2DNMT1HTR2AHTR2C

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 EHMT2 1121/4885NSD2 851/4885DNMT1 582/4885
US-20130217668-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE BCL6, DCK, FLI1 EHMT2 1121/4885NSD2 851/4885DNMT1 582/4885

“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.