SCHEMBL2642229

SCHEMBL2642229

CC(=O)c1cccc(F)c1[O]

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
CES2 O00748 4/20 0.48
CES1 P23141 4/20 0.48
BCHE P06276 1/20 0.48
ALB P02768 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
GAA P10253 1/20 0.44
ALDH1A1 P00352 2/20 0.43
ALOX15 P16050 1/20 0.43
MEN1 O00255 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 1/20 0.39
NPC1 O15118 4/20 0.38
RAB9A P51151 3/20 0.38
HPGD P15428 2/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
NOD2 Q9HC29 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL7301325 0.84 ALDH1A1 (0.45) KMT2ASMN1; SMN2GAAALDH1A1ALOX15
SCHEMBL717464 0.80 CES2 (0.68) KMT2ACES2CES1BCHEALB
SCHEMBL29772247 0.80 CES2 (0.68) KMT2ACES2CES1BCHEALB
SCHEMBL13461 0.79 CES2 (0.65) KMT2ACES2CES1BCHESMN1; SMN2
SCHEMBL29593208 0.79 CES2 (0.65) KMT2ACES2CES1BCHESMN1; SMN2
SCHEMBL2646259 0.78 CES2 (0.48) CES2CES1BCHEALBGAA
SCHEMBL1041622 0.78 ALB (0.67) KMT2ACES2CES1BCHEALB
SCHEMBL1975197 0.78 CES2 (0.65) KMT2ACES2CES1BCHEALB
SCHEMBL17040388 0.78 ESR1 (0.53) KMT2ACES2CES1BCHEALB
Hydrochloric Acid SCHEMBL7418290 0.77 CES2 (0.62) KMT2ACES2CES1BCHESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687502-B2 Substituted quinazoline or pyridopyrimidine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-03-30 US disclosed
US-20080032996-A1 Substituted Quinazoline or Pyridopyrimidine Derivative MSD K.K. (JP) 2008-02-07 US disclosed
EP-1734040-A1 SUBSTITUTED QUINAZOLINE OR PYRIDOPYRIMIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-12-20 EP 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-20080032996-A1 Substituted Quinazoline or Pyridopyrimidine Derivative GCK, GCKR, PDXK KMT2A 1505/4885CES2 2078/4885CES1 1793/4885

“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.