SCHEMBL1814432

SCHEMBL1814432

CC(C)N1Cc2cc(-c3ccc(CN4CC(=O)N(C)C4=O)cc3Cl)cc(Cl)c2C1=O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 7/20 0.37
ENPP2 Q13822 2/20 0.36
WDR5 P61964 1/20 0.34
PIK3CD O00329 4/20 0.33
PIK3CA P42336 4/20 0.33
PIK3R1 P27986 3/20 0.33
KCNH2 Q12809 2/20 0.33
PIK3CB P42338 2/20 0.33
DRD3 P35462 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
DPP4 P27487 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
DGAT1 O75907 1/20 0.31

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
SCHEMBL1813914 0.93 CHKA (0.36) PIK3CGENPP2WDR5PIK3CDPIK3CA
SCHEMBL1814919 0.90 ENPP2 (0.43) PIK3CGENPP2PIK3CDPIK3CAPIK3R1
SCHEMBL1816794 0.84 DGAT1 (0.36) ENPP2WDR5KCNH2DRD3ALDH1A1
SCHEMBL1819066 0.83 PIK3CG (0.49) PIK3CGPIK3CDPIK3CAPIK3R1PIK3CB
SCHEMBL1819064 0.83 PIK3CG (0.49) PIK3CGPIK3CDPIK3CAPIK3R1PIK3CB
SCHEMBL1816212 0.82 PIK3CG (0.40) PIK3CGENPP2PIK3CDPIK3CAPIK3R1
SCHEMBL12004003 0.81 CHKA (0.37) PIK3CGKCNH2
SCHEMBL1819610 0.81 ENPP2 (0.45) ENPP2KCNH2
SCHEMBL6875262 0.80 ENPP2 (0.40) ENPP2WDR5KCNH2DRD3ALDH1A1
SCHEMBL1819583 0.80 PIK3CG (0.40) PIK3CGENPP2PIK3CDPIK3CAPIK3R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2496569-A2 HETEROCYCLIC DERIVATIVES MSD Oss B.V. (NL) 2012-09-12 EP claimed
WO-2011051490-A2 HETEROCYCLIC DERIVATIVES N.V. ORGANON (NL) 2011-05-05 WO claimed
US-8507521-B2 Heterocyclic derivatives Merck Sharp + Dohme B.V. (NL) 2013-08-13 US disclosed
US-8507521-B2 Heterocyclic derivatives Merck Sharp + Dohme B.V. (NL) 2013-08-13 US disclosed
US-8507521-B2 Heterocyclic derivatives Merck Sharp + Dohme B.V. (NL) 2013-08-13 US disclosed
EP-2496569-A2 HETEROCYCLIC DERIVATIVES MSD Oss B.V. (NL) 2012-09-12 EP disclosed
US-20120220622-A1 HETEROCYCLIC DERIVATIVES MERCK SHARP & DOHME B.V. (NL) 2012-08-30 US disclosed
US-20120220622-A1 HETEROCYCLIC DERIVATIVES MERCK SHARP & DOHME B.V. (NL) 2012-08-30 US disclosed
US-20120220622-A1 HETEROCYCLIC DERIVATIVES MERCK SHARP & DOHME B.V. (NL) 2012-08-30 US disclosed
WO-2011051490-A2 HETEROCYCLIC DERIVATIVES N.V. ORGANON (NL) 2011-05-05 WO disclosed
WO-2011051490-A2 HETEROCYCLIC DERIVATIVES N.V. ORGANON (NL) 2011-05-05 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-20120220622-A1 HETEROCYCLIC DERIVATIVES GRIN2C, GRIN3A, GRIN2D PIK3CG 4046/4885ENPP2 2659/4885WDR5 3796/4885

“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.