SCHEMBL6170944

SCHEMBL6170944

COC(=O)/C=C/c1ccc(C(F)(F)F)cc1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.55
ALDH1A1 P00352 4/20 0.48
MAPT P10636 3/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
KDM4E B2RXH2 2/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
MEN1 O00255 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX15 P16050 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP1A1 P04798 8/20 0.44
CYP1B1 Q16678 8/20 0.44
MCHR1 Q99705 1/20 0.41
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL6170951 1.00 CFTR (0.55) CFTRALDH1A1MAPTLMNAGAA
SCHEMBL6170728 0.89 CFTR (0.51) CFTRALDH1A1MAPTLMNAGAA
SCHEMBL6170732 0.89 CFTR (0.51) CFTRALDH1A1MAPTLMNAGAA
SCHEMBL9493070 0.87 ALDH1A1 (0.51) CFTRALDH1A1MAPTLMNAGAA
SCHEMBL9493078 0.87 ALDH1A1 (0.51) CFTRALDH1A1MAPTLMNAGAA
SCHEMBL20671048 0.85 ESR1 (0.52) CFTRALDH1A1MAPTLMNAGAA
SCHEMBL6821084 0.84 CYP1A1 (0.53) CFTRALDH1A1MAPTLMNAGAA
SCHEMBL6821081 0.84 CYP1A1 (0.53) CFTRALDH1A1MAPTLMNAGAA
SCHEMBL13675597 0.83 CYP1A1 (0.49) CFTRALDH1A1MAPTLMNAGAA
SCHEMBL8120979 0.82 ALDH1A1 (0.54) CFTRALDH1A1MAPTGAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150353508-A1 QUINOLINYL GLUCAGON RECEPTOR MODULATORS PFIZER INC. (US) 2015-12-10 US disclosed
US-20150353508-A1 QUINOLINYL GLUCAGON RECEPTOR MODULATORS PFIZER INC. (US) 2015-12-10 US disclosed
US-20150353508-A1 QUINOLINYL GLUCAGON RECEPTOR MODULATORS PFIZER INC. (US) 2015-12-10 US disclosed
US-9139538-B2 Quinolinyl glucagon receptor modulators PFIZER INC. (US) 2015-09-22 US disclosed
US-9139538-B2 Quinolinyl glucagon receptor modulators PFIZER INC. (US) 2015-09-22 US disclosed
US-9139538-B2 Quinolinyl glucagon receptor modulators PFIZER INC. (US) 2015-09-22 US disclosed
EP-2734503-B1 QUINOLINYL GLUCAGON RECEPTOR MODULATORS PFIZER (US) 2015-09-16 EP disclosed
EP-2734503-B1 QUINOLINYL GLUCAGON RECEPTOR MODULATORS PFIZER (US) 2015-09-16 EP disclosed
CN-103732578-B quinolinyl glucagon receptor modulators PFIZER INC. (US) 2015-08-12 CN disclosed
US-20150099882-A1 QUINOLINYL GLUCAGON RECEPTOR MODULATORS PFIZER INC. (US) 2015-04-09 US disclosed
US-20140135338-A1 QUINOLINYL GLUCAGON RECEPTOR MODULATORS PFIZER INC. (US) 2014-05-15 US disclosed
US-20140135338-A1 QUINOLINYL GLUCAGON RECEPTOR MODULATORS PFIZER INC. (US) 2014-05-15 US disclosed
CN-103732578-A Quinolinyl glucagon receptor modulators PFIZER 2014-04-16 CN disclosed
WO-2013014569-A1 QUINOLINYL GLUCAGON RECEPTOR MODULATORS PFIZER INC. (US) 2013-01-31 WO disclosed
WO-2013014569-A1 QUINOLINYL GLUCAGON RECEPTOR MODULATORS PFIZER INC. (US) 2013-01-31 WO disclosed
EP-1045833-B1 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER (US) 2005-11-02 EP disclosed
US-6608070-B1 Useful for treatment of medical condition in which prostaglandins are implicated as pathogens NAKAO KAZUNARI (JP) 2003-08-19 US disclosed
EP-1065206-B1 Tetrazolylalkyl indole compounds as anti-inflammatory and analgesic agents PFIZER (US) 2002-10-09 EP disclosed
CN-1284064-A 2,3-substituted indole compounds as cox-2 inhibitors PFIZER PHARMA (US) 2001-02-14 CN disclosed
EP-1065206-A1 Tetrazolylalkyl indole compounds as anti-inflammatory and analgesic agents PFIZER INC. (US) 2001-01-03 EP 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-20150099882-A1 QUINOLINYL GLUCAGON RECEPTOR MODULATORS GLP1R, GCGR, GPR119 CFTR 125/4885ALDH1A1 3335/4885MAPT 4296/4885
US-20150353508-A1 QUINOLINYL GLUCAGON RECEPTOR MODULATORS GLP1R, GCGR, GPR119 CFTR 125/4885ALDH1A1 3335/4885MAPT 4296/4885
US-20140135338-A1 QUINOLINYL GLUCAGON RECEPTOR MODULATORS GLP1R, GCGR, GPR119 CFTR 125/4885ALDH1A1 3335/4885MAPT 4296/4885

“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.