SCHEMBL12410700

SCHEMBL12410700

COC(=O)c1ncn(C(C)C)n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.46
ADRB3 P13945 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
MAPK1 P28482 3/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RAF1 P04049 1/20 0.33
MGLL Q99685 1/20 0.33
F2 P00734 2/20 0.33
KDM4E B2RXH2 4/20 0.32
ALDH1A1 P00352 2/20 0.32
JMJD6 Q6NYC1 1/20 0.32
KMT2A Q03164 1/20 0.31
FGFR1 P11362 1/20 0.31
HTT P42858 1/20 0.31
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL6853568 0.82 NOTUM (0.41) NOTUMADRB3TMEM97HRH3CYP4F2
SCHEMBL22040162 0.81 ADORA1 (0.45) KDM4EKMT2AMAPTL3MBTL1
SCHEMBL12410998 0.81 MGLL (0.33) NOTUMNPSR1MGLLKDM4EALDH1A1
SCHEMBL6854964 0.81 NOTUM (0.40) NOTUMADRB3TMEM97HRH3CYP4F2
SCHEMBL24267919 0.80 MAPK1 (0.51) NOTUMMAPK1ALDH1A1KMT2AMAPT
SCHEMBL784212 0.79 ACHE (0.33) MGLLALDH1A1MAPT
SCHEMBL12924661 0.79 HCAR3 (0.36) MGLLALDH1A1KMT2A
SCHEMBL6853833 0.79 NOTUM (0.39) NOTUMADRB3TMEM97HRH3CYP4F2
SCHEMBL6857956 0.79 NOTUM (0.39) NOTUMADRB3TMEM97HRH3CYP4F2
SCHEMBL12410701 0.79 BRD4 (0.36) MGLLMAPTL3MBTL1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9340539-B2 Hepatitis C inhibitor compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-17 US disclosed
US-9340539-B2 Hepatitis C inhibitor compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-17 US disclosed
US-20140343077-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-20 US disclosed
US-20140343077-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-20 US disclosed
US-20130289013-A1 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS SUNOVION PHARMACEUTICALS INC. 2013-10-31 US disclosed
US-8497278-B2 Imidazo[1,2-a]pyridine compounds SUNOVION PHARMACEUTICALS INC. (US) 2013-07-30 US disclosed
WO-2013026163-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-28 WO disclosed
US-20110166146-A1 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS SUNOVION PHARMACEUTICALS INC. (US) 2011-07-07 US 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-20110166146-A1 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS PAICS, ITPA, DPYD NOTUM 3234/4885ADRB3 422/4885TMEM97 2089/4885
US-20130289013-A1 IMIDAZO[1,2-a]PYRIDINE COMPOUNDS PAICS, ITPA, DPYD NOTUM 3234/4885ADRB3 422/4885TMEM97 2089/4885
US-20140343077-A1 HEPATITIS C INHIBITOR COMPOUNDS HCCS, C1R, HAVCR2 NOTUM 3220/4885ADRB3 591/4885TMEM97 2060/4885

“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.