SCHEMBL11901262

SCHEMBL11901262

O=Cc1ccc(-n2cc(C(F)(F)F)cn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.49
KDM4E B2RXH2 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPK1 P28482 1/20 0.47
KCNJ1 P48048 1/20 0.45
XDH P47989 1/20 0.43
EPHX2 P34913 1/20 0.41
NTRK1 P04629 1/20 0.39
FLT3 P36888 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GCGR P47871 5/20 0.37
TRIM24 O15164 1/20 0.37
TRIM33 Q9UPN9 1/20 0.37
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MGLL Q99685 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
SCHEMBL30971833 0.85 NTRK1 (0.41) ALDH1A1KDM4ESMN1; SMN2MAPK1KCNJ1
SCHEMBL31174791 0.81 EPHX2 (0.54) ALDH1A1SMN1; SMN2XDHEPHX2NTRK1
SCHEMBL28596249 0.81 EPHX2 (0.54) ALDH1A1SMN1; SMN2XDHEPHX2NTRK1
SCHEMBL24409334 0.81 ALDH1A1 (0.53) ALDH1A1KDM4ESMN1; SMN2MAPK1KCNJ1
SCHEMBL11901651 0.77 EPHX2 (0.55) ALDH1A1KDM4ESMN1; SMN2XDHEPHX2
SCHEMBL11900195 0.77 EPHX2 (0.44) XDHEPHX2NTRK1FLT3GCGR
SCHEMBL22900555 0.77 EPHX2 (0.43) XDHEPHX2NTRK1FLT3GCGR
SCHEMBL3606688 0.77 GAA (0.55) ALDH1A1SMN1; SMN2XDHEPHX2POLB
SCHEMBL6876042 0.76 ALDH1A1 (0.51) ALDH1A1KDM4ESMN1; SMN2MAPK1KCNJ1
SCHEMBL15329666 0.76 ALDH1A1 (0.51) ALDH1A1KDM4ESMN1; SMN2MAPK1KCNJ1

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160362392-A1 GLUCAGON RECEPTOR MODULATORS PFIZER INC. (US) 2016-12-15 US disclosed
US-20160362392-A1 GLUCAGON RECEPTOR MODULATORS PFIZER INC. (US) 2016-12-15 US disclosed
US-20160362392-A1 GLUCAGON RECEPTOR MODULATORS PFIZER INC. (US) 2016-12-15 US disclosed
US-9452999-B2 Glucagon receptor modulators PFIZER INC. (US) 2016-09-27 US disclosed
US-9452999-B2 Glucagon receptor modulators PFIZER INC. (US) 2016-09-27 US disclosed
US-9452999-B2 Glucagon receptor modulators PFIZER INC. (US) 2016-09-27 US disclosed
EP-2673260-B1 GLUCAGON RECEPTOR MODULATOR PFIZER (US) 2016-08-17 EP disclosed
EP-2673260-B1 GLUCAGON RECEPTOR MODULATOR PFIZER (US) 2016-08-17 EP disclosed
CN-103370306-B Glucagon Receptor Modulators PFIZER INC. (US) 2015-12-02 CN disclosed
US-20150266859-A1 GLUCAGON RECEPTOR MODULATORS PFIZER INC. (US) 2015-09-24 US disclosed
US-20140371467-A1 GLUCAGON RECEPTOR MODULATORS PFIZER INC. (US) 2014-12-18 US disclosed
US-8859591-B2 Glucagon receptor modulators PFIZER INC. (US) 2014-10-14 US disclosed
US-8859591-B2 Glucagon receptor modulators PFIZER INC. (US) 2014-10-14 US disclosed
US-8859591-B2 Glucagon receptor modulators PFIZER INC. (US) 2014-10-14 US disclosed
US-20130296355-A1 GLUCAGON RECEPTOR MODULATORS PFIZER (US) 2013-11-07 US disclosed
US-20130296355-A1 GLUCAGON RECEPTOR MODULATORS PFIZER (US) 2013-11-07 US disclosed
US-20130296355-A1 GLUCAGON RECEPTOR MODULATORS PFIZER (US) 2013-11-07 US disclosed
CN-103370306-A Glucagon receptor modulators PFIZER 2013-10-23 CN disclosed
US-8507533-B2 Glucagon receptor modulators PFIZER INC. (US) 2013-08-13 US disclosed
US-20120202834-A1 GLUCAGON RECEPTOR MODULATORS PFIZER INC. (US) 2012-08-09 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 (5 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-20150266859-A1 GLUCAGON RECEPTOR MODULATORS GLP1R, GCGR, GPR119 ALDH1A1 2684/4885KDM4E 3943/4885SMN1; SMN2 3570/4885
US-20130296355-A1 GLUCAGON RECEPTOR MODULATORS GLP1R, GCGR, GPR119 ALDH1A1 2684/4885KDM4E 3943/4885SMN1; SMN2 3570/4885
US-20140371467-A1 GLUCAGON RECEPTOR MODULATORS GLP1R, GCGR, GPR119 ALDH1A1 2684/4885KDM4E 3943/4885SMN1; SMN2 3570/4885
US-20160362392-A1 GLUCAGON RECEPTOR MODULATORS GLP1R, GCGR, GPR119 ALDH1A1 2684/4885KDM4E 3943/4885SMN1; SMN2 3570/4885
US-20120202834-A1 GLUCAGON RECEPTOR MODULATORS GLP1R, GCGR, GPR119 ALDH1A1 2684/4885KDM4E 3943/4885SMN1; SMN2 3570/4885

“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.