SCHEMBL14920728

SCHEMBL14920728

CCC(O)c1ccc(Cl)cc1F

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.60
KCNH2 Q12809 3/20 0.50
PYGL P06737 1/20 0.39
MDM2 Q00987 1/20 0.38
ADRA2A P08913 2/20 0.37
ADRA2B P18089 2/20 0.37
ADRA2C P18825 2/20 0.37
LMNA P02545 2/20 0.36
TP53 P04637 2/20 0.36
HTT P42858 1/20 0.36
GRIN2B Q13224 1/20 0.35
ADRB2 P07550 1/20 0.35
CYP3A4 P08684 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ADRA1A P35348 1/20 0.35

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
SCHEMBL14244683 0.87 KCNH2 (0.50) PDE2AKCNH2ADRA2AADRA2BADRA2C
SCHEMBL23980832 0.83 KCNH2 (0.51) PDE2AKCNH2PYGLMDM2ADRA2A
SCHEMBL30217483 0.83 KCNH2 (0.51) PDE2AKCNH2PYGLMDM2ADRA2A
SCHEMBL20235913 0.83 KCNH2 (0.51) PDE2AKCNH2PYGLMDM2ADRA2A
SCHEMBL18482272 0.83 KCNH2 (0.51) PDE2AKCNH2PYGLMDM2ADRA2A
SCHEMBL30446626 0.81 KCNH2 (0.50) PDE2AKCNH2PYGLMDM2ADRA2A
SCHEMBL22206866 0.81 KCNH2 (0.50) PDE2AKCNH2PYGLMDM2ADRA2A
SCHEMBL22206894 0.81 KCNH2 (0.50) PDE2AKCNH2PYGLMDM2ADRA2A
SCHEMBL30445833 0.81 KCNH2 (0.50) PDE2AKCNH2PYGLMDM2ADRA2A
SCHEMBL3195180 0.81 KCNH2 (0.50) PDE2AKCNH2PYGLMDM2ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9145354-B2 Pharmaceutical compounds ASTEX THERAPEUTICS LIMITED (GB) 2015-09-29 US disclosed
US-9145354-B2 Pharmaceutical compounds ASTEX THERAPEUTICS LIMITED (GB) 2015-09-29 US disclosed
US-20150051199-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2015-02-19 US disclosed
US-20150051199-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2015-02-19 US disclosed
EP-2773615-A1 PHARMACEUTICAL COMPOUNDS Astex Therapeutics Limited (GB) 2014-09-10 EP disclosed
WO-2013064543-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2013-05-10 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-20150051199-A1 PHARMACEUTICAL COMPOUNDS NR1H4, HAVCR2, NR1H3 PDE2A 4545/4885KCNH2 1890/4885PYGL 663/4885

“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.