SCHEMBL17418604

SCHEMBL17418604

COc1ccc(F)c(-c2ncc(CO)nc2Br)c1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 19/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
FFAR4 Q5NUL3 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
SCHEMBL17419037 0.86 KDM4E (0.42) FFAR1NPC1RAB9AFFAR4
SCHEMBL17418840 0.85 USP7 (0.41) FFAR1NPC1RAB9AFFAR4
SCHEMBL17418933 0.83 FFAR1 (0.56) FFAR1FFAR4
SCHEMBL17418530 0.81 FFAR1 (0.56) FFAR1FFAR4
SCHEMBL17418748 0.78 CTSA (0.41) FFAR1NPC1RAB9A
SCHEMBL17419149 0.74 NPC1 (0.41) FFAR1NPC1RAB9AFFAR4
SCHEMBL17418581 0.74 KDM1A (0.43) NPC1RAB9A
SCHEMBL17423987 0.73 FFAR1 (0.67) FFAR1
SCHEMBL16319299 0.71 ALDH1A1 (0.45) FFAR1NPC1RAB9A
SCHEMBL18490088 0.71 PTGS2 (0.40) FFAR1NPC1RAB9A

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 FFAR1 17/4885NPC1 1669/4885RAB9A 2845/4885

“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.