SCHEMBL9952009

SCHEMBL9952009

Cc1cc(C#N)ccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.61
PTGDR2 Q9Y5Y4 2/20 0.44
CYP11B2 P19099 2/20 0.42
AR P10275 1/20 0.42
XDH P47989 1/20 0.42
KDM1A O60341 4/20 0.41
EGLN2 Q96KS0 3/20 0.41
DGAT1 O75907 1/20 0.41
SOAT1 P35610 1/20 0.41
KCNH2 Q12809 1/20 0.41
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP11B1 P15538 1/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL17680288 0.86 KIF11 (0.46) KIF11CYP11B2EGLN2CYP11B1
SCHEMBL24617109 0.85 KIF11 (0.62) KIF11CYP11B2EGLN2CYP11B1
SCHEMBL7634772 0.84 ALDH1A1 (0.48) KIF11CYP11B2EGLN2ALDH1A1CYP11B1
SCHEMBL27806613 0.83 KIF11 (0.47) KIF11CYP11B2EGLN2ALDH1A1CYP11B1
SCHEMBL12496569 0.81 PTGS1 (0.49) CYP11B2EGLN2CYP11B1
SCHEMBL13445154 0.81 KIF11 (0.54) KIF11PTGDR2XDHKDM1ASLC1A3
SCHEMBL13445159 0.81 KIF11 (0.54) KIF11PTGDR2XDHKDM1ASLC1A3
SCHEMBL23625527 0.81 ALDH1A1 (0.56) CYP11B2ARKDM1AEGLN2ALDH1A1
SCHEMBL8304491 0.80 SCN5A (0.46) CYP11B2KDM1ACYP11B1MAOB
SCHEMBL9951605 0.80 KIF11 (0.56) KIF11PTGDR2CYP11B2ARKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150266861-A1 Glucagon Receptor Modulators PFIZER INC. (US) 2015-09-24 US disclosed
US-20150266861-A1 Glucagon Receptor Modulators PFIZER INC. (US) 2015-09-24 US disclosed
US-20150266861-A1 Glucagon Receptor Modulators PFIZER INC. (US) 2015-09-24 US disclosed
CN-103261165-B Glucagon receptor modulators PFIZER INC. (US) 2015-08-26 CN disclosed
US-9056834-B2 Glucagon receptor modulators PFIZER INC. (US) 2015-06-16 US disclosed
US-9056834-B2 Glucagon receptor modulators PFIZER INC. (US) 2015-06-16 US disclosed
US-9056834-B2 Glucagon receptor modulators PFIZER INC. (US) 2015-06-16 US disclosed
US-20150094338-A1 Glucagon Receptor Modulators PFIZER INC. (US) 2015-04-02 US disclosed
US-20150094338-A1 Glucagon Receptor Modulators PFIZER INC. (US) 2015-04-02 US disclosed
US-20150094338-A1 Glucagon Receptor Modulators PFIZER INC. (US) 2015-04-02 US disclosed
US-8809342-B2 Glucagon receptor modulators PFIZER INC. (US) 2014-08-19 US disclosed
US-8809342-B2 Glucagon receptor modulators PFIZER INC. (US) 2014-08-19 US disclosed
US-8809342-B2 Glucagon receptor modulators PFIZER INC. (US) 2014-08-19 US disclosed
EP-2655331-A1 GLUCAGON RECEPTOR MODULATORS Pfizer Inc (US) 2013-10-30 EP disclosed
CN-103261165-A Glucagon receptor modulators PFIZER 2013-08-21 CN disclosed
US-20120165343-A1 Glucagon Receptor Modulators PFIZER INC. (US) 2012-06-28 US disclosed
US-20120165343-A1 Glucagon Receptor Modulators PFIZER INC. (US) 2012-06-28 US disclosed
WO-2012085745-A1 GLUCAGON RECEPTOR MODULATORS PFIZER INC. (US) 2012-06-28 WO disclosed
WO-2012085745-A1 GLUCAGON RECEPTOR MODULATORS PFIZER INC. (US) 2012-06-28 WO disclosed
US-20120165343-A1 Glucagon Receptor Modulators PFIZER INC. (US) 2012-06-28 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-20150094338-A1 Glucagon Receptor Modulators GLP1R, GCGR, GPR119 KIF11 4048/4885PTGDR2 269/4885CYP11B2 447/4885
US-20120165343-A1 Glucagon Receptor Modulators GLP1R, GCGR, GPR119 KIF11 4048/4885PTGDR2 269/4885CYP11B2 447/4885
US-20150266861-A1 Glucagon Receptor Modulators GLP1R, GCGR, GPR119 KIF11 4048/4885PTGDR2 269/4885CYP11B2 447/4885

“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.