SCHEMBL4636634

SCHEMBL4636634

O=C(O)c1cnc(-c2cc(F)cc(F)c2)nc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LDHA P00338 3/20 0.51
▸ HCAR2 Q8TDS4 2/20 0.47
▸ XDH P47989 3/20 0.45
▸ HCAR1 Q9BXC0 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ CES2 O00748 1/20 0.41
▸ CES1 P23141 1/20 0.41
▸ P4HA1 P13674 2/20 0.41
▸ P4HTM Q9NXG6 2/20 0.41
▸ BCL2L1 Q07817 1/20 0.41
▸ BAD Q92934 1/20 0.41
▸ HDAC3 O15379 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ AXL P30530 1/20 0.40
▸ MAP4K4 O95819 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
SCHEMBL1366015 0.82 HPGDS (0.55) LDHAXDHHDAC3HDAC6AXL
Hydrochloric Acid SCHEMBL3228950 0.80 HPGDS (0.54) LDHAXDHHDAC3HDAC6AXL
SCHEMBL4636278 0.80 BCL2L1 (0.61) LDHAHCAR2XDHKDM4EP4HA1
SCHEMBL1542758 0.78 LDHA (0.80) LDHAALDH1A1HSD17B10P4HA1P4HTM
SCHEMBL20462872 0.77 KAT6A (0.55) LDHAHCAR2HCAR1AXL
SCHEMBL29049636 0.76 XDH (0.56) LDHAHCAR2XDHKDM4EALDH1A1
SCHEMBL4886683 0.75 ALDH1A1 (0.58) LDHAHCAR2XDHKDM4EALDH1A1
SCHEMBL27976770 0.73 ALDH1A1 (0.52) LDHAHCAR2KDM4EALDH1A1ALOX15
SCHEMBL31450343 0.73 HCAR2 (0.63) LDHAHCAR2XDHHCAR1KDM4E
SCHEMBL157714 0.73 HCAR1 (0.73) HCAR2HCAR1KDM4EALDH1A1ALOX15

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 5 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-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 LDHA 3321/4885HCAR2 532/4885XDH 514/4885

“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.

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