SCHEMBL5014336

SCHEMBL5014336

CCOC(=O)c1cnc(-c2ccc(F)cc2)nc1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOS P01100 4/20 0.60
JUN P05412 4/20 0.60
NFKB1 P19838 4/20 0.60
NFKB2 Q00653 4/20 0.60
RELA Q04206 4/20 0.60
ALDH1A1 P00352 7/20 0.59
SMN1; SMN2 Q16637 5/20 0.59
MAPT P10636 4/20 0.59
LMNA P02545 3/20 0.59
ATM Q13315 2/20 0.59
MAPK1 P28482 1/20 0.59
RAB9A P51151 5/20 0.57
NPC1 O15118 5/20 0.57
TP53 P04637 1/20 0.57
HSD17B10 Q99714 2/20 0.55
CYP1A2 P05177 2/20 0.54
POLB P06746 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54

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
SCHEMBL23574966 0.86 ALDH1A1 (0.59) FOSJUNNFKB1NFKB2RELA
SCHEMBL3572484 0.86 ALDH1A1 (0.78) FOSJUNNFKB1NFKB2RELA
SCHEMBL12929551 0.86 FOS (0.66) FOSJUNNFKB1NFKB2RELA
SCHEMBL6017125 0.86 FOS (0.61) FOSJUNNFKB1NFKB2RELA
SCHEMBL29635231 0.85 ALDH1A1 (0.57) FOSJUNNFKB1NFKB2RELA
SCHEMBL12929705 0.85 ALDH1A1 (0.78) FOSJUNNFKB1NFKB2RELA
SCHEMBL3229243 0.85 CSNK1D (0.62) FOSJUNNFKB1NFKB2RELA
SCHEMBL22355099 0.84 ALDH1A1 (0.56) FOSJUNNFKB1NFKB2RELA
SCHEMBL22658054 0.84 NPC1 (0.56) FOSJUNNFKB1NFKB2RELA
SCHEMBL10433933 0.84 ALDH1A1 (0.86) FOSJUNNFKB1NFKB2RELA

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 2 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-20080227782-A1 PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2008-09-18 US 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 FOS 4613/4885JUN 2221/4885NFKB1 883/4885

“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.