SCHEMBL17418907

SCHEMBL17418907

COc1cc(-c2ncc(CCl)nc2Cl)c(F)cn1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 9/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C8 P10632 1/20 0.37
AAK1 Q2M2I8 1/20 0.36
ALOX5AP P20292 1/20 0.34
NAMPT P43490 5/20 0.33
ORAI1 Q96D31 2/20 0.32
BRD4 O60885 1/20 0.31
BRD2 P25440 1/20 0.31
BRD3 Q15059 1/20 0.31
CREBBP Q92793 1/20 0.31
TLR9 Q9NR96 1/20 0.30
TLR8 Q9NR97 1/20 0.30
TLR7 Q9NYK1 1/20 0.30

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
SCHEMBL17419127 0.88 FFAR1 (0.38) FFAR1CYP3A4CYP2C8AAK1ALOX5AP
SCHEMBL17418923 0.83 FFAR1 (0.53) FFAR1CYP3A4CYP2C8AAK1ALOX5AP
SCHEMBL17419149 0.80 NPC1 (0.41) FFAR1
SCHEMBL22439823 0.75 FFAR1 (0.39) FFAR1CYP3A4CYP2C8AAK1ALOX5AP
SCHEMBL17418560 0.74 ALOX5AP (0.39) FFAR1CYP3A4CYP2C8AAK1ALOX5AP
SCHEMBL17418814 0.74 FFAR1 (0.39) FFAR1CYP3A4CYP2C8AAK1ALOX5AP
SCHEMBL17419043 0.70 FFAR1 (0.55) FFAR1CYP3A4CYP2C8AAK1ALOX5AP
SCHEMBL17419037 0.68 KDM4E (0.42) FFAR1
SCHEMBL17494822 0.68 FFAR1 (0.40) FFAR1CYP3A4CYP2C8AAK1TLR9
SCHEMBL27841298 0.67 MEN1 (0.44) ORAI1

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 17/4885CYP3A4 1894/4885CYP2C8 2767/4885

“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.