SCHEMBL4636142

SCHEMBL4636142

O=C(O)c1cnc(-c2ccccc2F)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.48
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
LDHA P00338 1/20 0.44
MAOA P21397 1/20 0.44
BLVRB P30043 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
P4HTM Q9NXG6 3/20 0.44
MGAM O43451 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
KDM5A P29375 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
KDM5B Q9UGL1 1/20 0.43
CSNK2A2 P19784 1/20 0.43
CSNK2B P67870 1/20 0.43
TTR P02766 2/20 0.42
ACMSD Q8TDX5 1/20 0.42
P4HA1 P13674 2/20 0.42

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
SCHEMBL2070102 0.81 LDHA (0.62) DHODHNPC1RAB9ALDHAP4HTM
SCHEMBL4636639 0.80 NPC1 (0.56) NPC1RAB9AP4HTMHTT
SCHEMBL15630557 0.80 DHODH (0.48) DHODHNPC1RAB9ALDHAMAOA
SCHEMBL3220796 0.79 KDM6B (0.48) LDHABLVRBP4HTMMGAMHPGD
SCHEMBL1367804 0.79 DHODH (0.52) DHODHLDHAP4HTMKDM5AKDM4C
SCHEMBL27773718 0.77 LDHA (0.41) LDHAP4HTMMGAMHPGDTTR
SCHEMBL3209935 0.77 EGLN1 (0.54) NPC1RAB9AP4HTMHPGDHTT
SCHEMBL31324960 0.77 NPC1 (0.54) DHODHNPC1RAB9AMAOABLVRB
SCHEMBL22573477 0.76 NPC1 (0.52) DHODHNPC1RAB9AMAOABLVRB
SCHEMBL319435 0.76 ATR (0.45) DHODHNPC1RAB9AMAOABLVRB

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 7 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
CN-101538246-A Pyrimidine amide compounds as pgds inhibitors AVENTIS PHARMA INC 2009-09-23 CN disclosed
CN-101282943-A Pyrimidine amide compounds as PGDS inhibitors AVENTIS PHARMA INC (US) 2008-10-08 CN disclosed
US-20080227782-A1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2008-09-18 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 (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-20080227782-A1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS HRH2, HRH1, LTC4S DHODH 354/4885NPC1 1707/4885RAB9A 2462/4885

“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.