SCHEMBL104083

SCHEMBL104083

Fc1ccc(-c2cn[nH]n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 9/20 0.64
NOTUM Q6P988 3/20 0.64
METAP1 P53582 1/20 0.64
IDO1 P14902 5/20 0.63
KEAP1 Q14145 1/20 0.63
MAPK14 Q16539 2/20 0.51
SIRT3 Q9NTG7 1/20 0.50
PHF8 Q9UPP1 1/20 0.49
JAK2 O60674 1/20 0.49
ROCK2 O75116 1/20 0.49
PAK4 O96013 1/20 0.49
PIM1 P11309 1/20 0.49
KDR P35968 1/20 0.49
GSK3B P49841 1/20 0.49
AURKB Q96GD4 1/20 0.49
CSNK1D P48730 1/20 0.48

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
SCHEMBL31710994 0.79 METAP2 (0.41) METAP2NOTUMMETAP1IDO1KEAP1
SCHEMBL29626826 0.78 METAP2 (1.00) METAP2NOTUMMETAP1IDO1KEAP1
SCHEMBL8221447 0.77 METAP2 (1.00) METAP2NOTUMMETAP1IDO1KEAP1
SCHEMBL5025520 0.76 IDO1 (1.00) METAP2NOTUMMETAP1IDO1KEAP1
SCHEMBL8664138 0.76 METAP2 (0.95) METAP2NOTUMMETAP1IDO1KEAP1
SCHEMBL1030506 0.74 METAP2 (0.63) METAP2NOTUMMETAP1IDO1KEAP1
SCHEMBL28741785 0.74 IDO1 (0.65) METAP2NOTUMMETAP1IDO1KEAP1
SCHEMBL28855935 0.74 METAP2 (0.68) METAP2NOTUMMETAP1IDO1KEAP1
SCHEMBL3697643 0.74 METAP2 (0.63) METAP2NOTUMMETAP1IDO1KEAP1
SCHEMBL21792289 0.70 NOTUM (1.00) METAP2NOTUMMETAP1IDO1JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023076849-A1 INHIBITORS OF EPIDERMAL GROWTH FACTOR RECEPTOR ORIC PHARMACEUTICALS, INC. (US) 2023-05-04 WO disclosed
WO-2023076849-A1 INHIBITORS OF EPIDERMAL GROWTH FACTOR RECEPTOR ORIC PHARMACEUTICALS, INC. (US) 2023-05-04 WO disclosed
CN-102993084-B Alkynyl derivatives as modulators of metabotropic glutamate receptors ADDEX PHARMACEUTICALS SA 2015-05-20 CN disclosed
US-8883826-B2 Alkynyl derivatives as modulators of metabotropic glutamate receptors ADDEX PHARMA SA (CH) 2014-11-11 US disclosed
US-8674106-B2 Alkynyl derivatives as modulators of metabotropic glutamate receptors ADDEX PHARMA SA (CH) 2014-03-18 US disclosed
US-20130178631-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2013-07-11 US disclosed
CN-102993084-A Alkynyl derivatives as modulators of metabotropic glutamate receptors ADDEX PHARMACEUTICALS SA 2013-03-27 CN disclosed
CN-101001846-B Alkynyl derivatives as modulators of metabotropic glutamate receptors ADDEX PHARMACEUTICALS SA 2012-11-07 CN disclosed
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2012-11-01 US disclosed
EP-2426115-A2 Alkynyl derivatives as modulators of metabotropic glutamate receptors Addex Pharma SA (CH) 2012-03-07 EP disclosed
US-8101637-B2 Alkynyl derivatives as modulators of metatropic glutamate receptors ADDEX PHARMA SA (CH) 2012-01-24 US disclosed
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2009-05-14 US disclosed
CN-101001846-A Novel alkynyl derivatives as modulators of metabotropic glutamate receptors ADDEX PHARMACEUTICALS SA (CH) 2007-07-18 CN disclosed
EP-1765795-A2 ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharmaceuticals SA (CH) 2007-03-28 EP disclosed
WO-2005123703-A2 ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2005-12-29 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-20130178631-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 METAP2 3924/4885NOTUM 2492/4885METAP1 3687/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 METAP2 1779/4885NOTUM 2536/4885METAP1 1948/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 METAP2 3924/4885NOTUM 2492/4885METAP1 3687/4885

“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.