SCHEMBL17419149

SCHEMBL17419149

COc1ccc(F)c(-c2ncc(CCl)nc2Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GFER P55789 1/20 0.41
FFAR1 O14842 16/20 0.40
KDM1A O60341 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39

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
SCHEMBL17419037 0.88 KDM4E (0.42) NPC1RAB9AALDH1A1FFAR1FFAR4
SCHEMBL17418596 0.85 FFAR1 (0.54) NPC1RAB9AFFAR1KDM1AFFAR4
SCHEMBL17418612 0.83 FFAR1 (0.41) FFAR1FFAR4
SCHEMBL17418945 0.83 FFAR1 (0.54) NPC1RAB9AFFAR1KDM1AFFAR4
SCHEMBL17418907 0.80 FFAR1 (0.37) FFAR1
SCHEMBL17418604 0.74 FFAR1 (0.41) NPC1RAB9AFFAR1FFAR4
SCHEMBL17418840 0.74 USP7 (0.41) NPC1RAB9AFFAR1KDM1AFFAR4
SCHEMBL17418933 0.73 FFAR1 (0.56) FFAR1FFAR4
SCHEMBL17431571 0.72 FFAR1 (0.56) FFAR1
SCHEMBL17418530 0.71 FFAR1 (0.56) FFAR1KDM1AFFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9688642-B2 Substituted pyrazines as GPR40 agonists JANSSEN PHARMACEUTICA NV (BE) 2017-06-27 US disclosed
US-9688642-B2 Substituted pyrazines as GPR40 agonists JANSSEN PHARMACEUTICA NV (BE) 2017-06-27 US disclosed
US-9688642-B2 Substituted pyrazines as GPR40 agonists JANSSEN PHARMACEUTICA NV (BE) 2017-06-27 US disclosed
US-20160009662-A1 PYRAZINE GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN PHARMACEUTICA NV (BE) 2016-01-14 US disclosed
US-20160009662-A1 PYRAZINE GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN PHARMACEUTICA NV (BE) 2016-01-14 US disclosed
US-20160009662-A1 PYRAZINE GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN PHARMACEUTICA NV (BE) 2016-01-14 US disclosed
WO-2016007714-A1 PYRAZINE GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN PHARMACEUTICA NV (BE) 2016-01-14 WO disclosed
WO-2016007714-A1 PYRAZINE GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES JANSSEN PHARMACEUTICA NV (BE) 2016-01-14 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 (1 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-20160009662-A1 PYRAZINE GPR40 AGONISTS FOR THE TREATMENT OF TYPE II DIABETES GPR119, GPR65, GPR52 NPC1 1669/4885RAB9A 2845/4885ALDH1A1 1618/4885

“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.