SCHEMBL17418581

SCHEMBL17418581

COc1ccc(F)c(-c2ncc(Br)nc2N)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 1/20 0.43
MAPT P10636 4/20 0.39
KDM4E B2RXH2 3/20 0.39
HTT P42858 2/20 0.39
ALDH1A1 P00352 2/20 0.39
PIM1 P11309 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
PDE2A O00408 2/20 0.38
PDE10A Q9Y233 2/20 0.38
CASP1 P29466 1/20 0.38

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
SCHEMBL17418840 0.82 USP7 (0.41) KDM1ANPC1RAB9AMAPTHTT
SCHEMBL17418966 0.80 CTSA (0.41) KDM1ANPC1RAB9APIM1CYP1A2
SCHEMBL17418748 0.75 CTSA (0.41) NPC1RAB9APIM1CYP1A2CYP3A4
SCHEMBL17418604 0.74 FFAR1 (0.41) NPC1RAB9A
SCHEMBL29419518 0.72 KDM1A (0.45) KDM1ANPC1RAB9AMAPTKDM4E
SCHEMBL28691083 0.72 KDM1A (0.45) KDM1ANPC1RAB9AMAPTKDM4E
SCHEMBL30989187 0.71 CYP3A4 (0.40) KDM1ANPC1RAB9AMAPTKDM4E
SCHEMBL2415584 0.70 SCN2A (0.51) KDM1ANPC1MAPTKDM4EHTT
SCHEMBL2403768 0.70 KDM1A (0.53) KDM1ANPC1RAB9APIM1CYP1A2
SCHEMBL17419149 0.70 NPC1 (0.41) KDM1ANPC1RAB9AALDH1A1

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 KDM1A 3671/4885NPC1 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.