SCHEMBL1345908

SCHEMBL1345908

CC(O)c1ccc(Cl)cc1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.44
TP53 P04637 2/20 0.44
LMNA P02545 1/20 0.44
PDE2A O00408 1/20 0.42
KCNH2 Q12809 1/20 0.39
MEN1 O00255 6/20 0.36
KMT2A Q03164 6/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 2/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
S1PR3 Q99500 3/20 0.36
HPGD P15428 2/20 0.35
ALOX15 P16050 1/20 0.35
PPARG P37231 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
SCHEMBL26239587 1.00 HTT (0.44) HTTTP53LMNAPDE2AKCNH2
SCHEMBL6742837 1.00 HTT (0.44) HTTTP53LMNAPDE2AKCNH2
SCHEMBL30917700 1.00 HTT (0.44) HTTTP53LMNAPDE2AKCNH2
SCHEMBL31042467 0.83 MEN1 (0.40) HTTTP53LMNAPDE2AKCNH2
SCHEMBL3119255 0.83 MEN1 (0.40) HTTTP53LMNAPDE2AKCNH2
SCHEMBL16166567 0.83 MEN1 (0.40) HTTTP53LMNAPDE2AKCNH2
SCHEMBL9967737 0.83 LMNA (0.47) HTTTP53LMNAKCNH2MEN1
SCHEMBL27567999 0.81 HTT (0.45) HTTTP53LMNAKCNH2MEN1
SCHEMBL1345509 0.79 LMNA (0.64) HTTTP53LMNAPDE2AMEN1
SCHEMBL6744805 0.79 KCNH2 (0.43) HTTTP53LMNAPDE2AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2714661-B1 PICOLINAMIDO - PROPANOIC ACID DERIVATIVES USEFUL AS GLUCAGON RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2015-09-30 EP disclosed
US-9045389-B2 Biphenyl derivatives useful as glucagon receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2015-06-02 US disclosed
EP-2714647-B1 BIPHENYL DERIVATIVES USEFUL AS GLUCAGON RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2015-04-29 EP disclosed
US-8748624-B2 Picolinamido-propanoic acid derivatives useful as glucagon receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2014-06-10 US disclosed
US-20120302610-A1 PICOLINAMIDO-PROPANOIC ACID DERIVATIVES USEFUL AS GLUCAGON RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2012-11-29 US disclosed
US-20120302641-A1 BIPHENYL DERIVATIVES USEFUL AS GLUCAGON RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2012-11-29 US disclosed
WO-2012162409-A1 BIPHENYL DERIVATIVES USEFUL AS GLUCAGON RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2012-11-29 WO disclosed
WO-2012162407-A1 PICOLINAMIDO - PROPANOIC ACID DERIVATIVES USEFUL AS GLUCAGON RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2012-11-29 WO disclosed
CN-101679395-B Triazolyl aminopyrimidine compounds LILLY CO ELI 2012-06-13 CN disclosed
US-8063035-B2 Triazolyl aminopyrimidine compounds ELI LILLY AND COMPANY (US) 2011-11-22 US disclosed
US-20100087431-A1 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY 2010-04-08 US disclosed
CN-101679395-A triazolyl aminopyrimidine compounds LILLY CO ELI 2010-03-24 CN disclosed
EP-2155734-A2 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY (US) 2010-02-24 EP disclosed
WO-2008144223-A2 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY (US) 2008-11-27 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-20120302641-A1 BIPHENYL DERIVATIVES USEFUL AS GLUCAGON RECEPTOR ANTAGONISTS GPR119, GIPR, GLP1R HTT 2423/4885TP53 4218/4885LMNA 3449/4885
US-20100087431-A1 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS DPYD, TP53, TYMP HTT 3719/4885TP53 2/4885LMNA 4572/4885
US-20120302610-A1 PICOLINAMIDO-PROPANOIC ACID DERIVATIVES USEFUL AS GLUCAGON RECEPTOR ANTAGONISTS GLP1R, GIPR, GCGR HTT 1687/4885TP53 3586/4885LMNA 3083/4885

“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.