SCHEMBL10248025

SCHEMBL10248025

O=C(Nc1cccc(C(F)(F)F)c1)c1cnc(-c2ccccc2)nc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.64
KCNK3 O14649 1/20 0.64
LMNA P02545 1/20 0.63
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
TSHR P16473 1/20 0.62
RXFP1 Q9HBX9 5/20 0.60
HTT P42858 1/20 0.58
RAB9A P51151 1/20 0.58
HDAC3 O15379 1/20 0.57
HDAC1 Q13547 1/20 0.57
HDAC2 Q92769 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
MAPK1 P28482 1/20 0.56
LCK P06239 1/20 0.56
P2RX1 P51575 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.55
KCNQ3 O43525 1/20 0.55
KCNQ2 O43526 1/20 0.55
KCNE1 P15382 1/20 0.55

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
SCHEMBL4683413 0.83 KCNK3 (0.88) MAPTKCNK3LMNAMEN1KMT2A
SCHEMBL15899845 0.83 MAPT (0.53) MAPTKCNK3LMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL29693050 0.82 KCNK3 (0.86) MAPTKCNK3LMNAMEN1KMT2A
SCHEMBL24141032 0.80 MAPT (0.84) MAPTKCNK3LMNAMEN1KMT2A
SCHEMBL24073967 0.80 KCNK3 (0.82) MAPTKCNK3LMNAMEN1KMT2A
SCHEMBL13550090 0.80 KMT2A (0.69) MAPTKCNK3MEN1KMT2ATSHR
SCHEMBL10247929 0.79 ATR (0.57) KCNK3MEN1KMT2A
SCHEMBL23447711 0.79 MAPT (0.82) MAPTKCNK3LMNAMEN1KMT2A
SCHEMBL4286068 0.79 MAPT (0.94) MAPTKCNK3LMNAMEN1KMT2A
SCHEMBL8461120 0.78 MAPT (0.75) MAPTKCNK3LMNAMEN1KMT2A

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
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-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
US-20080227782-A1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2008-09-18 US 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 MAPT 1424/4885KCNK3 2714/4885LMNA 3675/4885

“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.