SCHEMBL1367804

SCHEMBL1367804

O=C(O)c1cnc(-c2cc(F)ccc2F)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.52
MAP4K4 O95819 1/20 0.46
KMO O15229 2/20 0.42
HCAR2 Q8TDS4 1/20 0.42
KDM4A O75164 1/20 0.41
KDM5A P29375 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
KEAP1 Q14145 1/20 0.41
P4HA1 P13674 2/20 0.40
P4HTM Q9NXG6 2/20 0.40
BCL2L1 Q07817 1/20 0.40
BAD Q92934 1/20 0.40
LDHA P00338 1/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
ALKBH1 Q13686 1/20 0.40
XDH P47989 1/20 0.40
PTGER1 P34995 1/20 0.40
MIF P14174 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
SCHEMBL2069893 0.82 P4HA1 (0.58) DHODHMAP4K4KMOP4HA1P4HTM
SCHEMBL1365709 0.81 DHODH (0.46) DHODH
SCHEMBL4636142 0.79 DHODH (0.48) DHODHKDM5AKDM4CKDM5BP4HA1
SCHEMBL1222849 0.75 BCL2L1 (0.62) MAP4K4BCL2L1BAD
SCHEMBL15574123 0.75 KMO (0.41) DHODHMAP4K4KMOHCAR2CES2
SCHEMBL4636278 0.74 BCL2L1 (0.61) MAP4K4HCAR2KDM5AKDM4CKDM5B
SCHEMBL31517722 0.74 CASP6 (0.43) DHODH
SCHEMBL1366015 0.72 HPGDS (0.55) KMOKDM5AKDM4CKDM5BLDHA
SCHEMBL17584502 0.72 KEAP1 (0.49) DHODHMAP4K4KMOHCAR2KDM4A
SCHEMBL4388622 0.72 P4HA1 (0.58) DHODHMAP4K4KMOKDM4AKDM5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1937652-B1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS AVENTIS PHARMA INC (US) 2014-07-30 EP disclosed
US-8202863-B2 2-Phenyl-pyrimidine-5-carboxylic acid benzylamide; to treat allergic and/or inflammatory disorders, particularly disorders such as allergic rhinitis, asthma and/or chronic obstructive pulmonary disease AVENTIS PHARMACEUTICALS INC. (US) 2012-06-19 US disclosed
US-8067589-B2 Heterocyclic compounds useful in treating diseases and conditions PFIZER INC (US) 2011-11-29 US disclosed
EP-2132196-A1 NICOTINAMIDE DERIVATIVES AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES Pfizer Products Inc. (US) 2009-12-16 EP disclosed
US-20090281125-A1 Heterocyclic Compounds Useful in Treating Diseases and Conditions BLAKE TANISHA D 2009-11-12 US disclosed
US-7582643-B2 Heterocyclic compounds useful in treating diseases and conditions PFIZER INC (US) 2009-09-01 US disclosed
US-20080227782-A1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2008-09-18 US disclosed
WO-2008104869-A1 NICOTINAMIDE DERIVATIVES AS INHIBITORS OF H-PGDS AND THEIR USE FOR TREATING PROSTAGLANDIN D2 MEDIATED DISEASES PFIZER PRODUCTS INC. (US) 2008-09-04 WO disclosed
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions BLAKE TANISHA D 2008-08-28 US disclosed
EP-1937652-A1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS Aventis Pharmaceuticals Inc. (US) 2008-07-02 EP disclosed
WO-2007041634-A1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2007-04-12 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-20080227782-A1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS HRH2, HRH1, LTC4S DHODH 354/4885MAP4K4 2149/4885KMO 1229/4885
US-20090281125-A1 Heterocyclic Compounds Useful in Treating Diseases and Conditions CYP11B2, CYP11B1, LTC4S DHODH 245/4885MAP4K4 2071/4885KMO 363/4885
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions CYP11B2, CYP11B1, LTC4S DHODH 245/4885MAP4K4 2071/4885KMO 363/4885

“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.