SCHEMBL2642312

SCHEMBL2642312

O=C(c1cccc(F)c1F)C1CC1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.59
CES1 P23141 4/20 0.59
BCHE P06276 1/20 0.59
HPGD P15428 1/20 0.50
PDK2 Q15119 1/20 0.43
HSD11B1 P28845 1/20 0.43
HTR1F P30939 1/20 0.43
RIPK1 Q13546 2/20 0.42
KMT2A Q03164 1/20 0.42
MGLL Q99685 2/20 0.41
ALB P02768 1/20 0.41
PARP1 P09874 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
ATM Q13315 1/20 0.40
KAT6A Q92794 1/20 0.40
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL16861562 0.88 CES2 (0.50) CES2CES1BCHEHPGDHSD11B1
Hydrochloric Acid SCHEMBL15565860 0.87 CES2 (0.49) CES2CES1BCHEHPGDHSD11B1
SCHEMBL718095 0.84 CES2 (0.56) CES2CES1HPGDPDK2HSD11B1
SCHEMBL29591363 0.84 CES2 (0.56) CES2CES1HPGDPDK2HSD11B1
SCHEMBL2642208 0.83 ALB (0.58) CES2CES1BCHEHPGDPDK2
SCHEMBL2642205 0.83 CES2 (0.42) CES2CES1BCHEHPGDPDK2
SCHEMBL8060836 0.81 HSD11B1 (0.46) HPGDPDK2HSD11B1HTR1FRIPK1
SCHEMBL14831804 0.81 PDK2 (0.41) CES2CES1BCHEPDK2HSD11B1
SCHEMBL9274620 0.81 HSD11B1 (0.41) CES2CES1BCHEHPGDPDK2
SCHEMBL15587991 0.81 ESR1 (0.46) CES2CES1BCHEPDK2HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103922904-A Method for synthesizing 2-fluoroarylcarbonyl compounds UNIV ZHEJIANG TECHNOLOGY 2014-07-16 CN disclosed
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 CES2 2078/4885CES1 1793/4885BCHE 2373/4885

“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.