SCHEMBL1814919

SCHEMBL1814919

CC(C)N1Cc2cc(-c3ccc(CN4CC(=O)N(C)C4=O)cc3)cc(Cl)c2C1=O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 5/20 0.43
PIK3CG P48736 8/20 0.41
PIK3CD O00329 4/20 0.35
PIK3CA P42336 4/20 0.35
PIK3R1 P27986 3/20 0.35
PIK3CB P42338 2/20 0.35
KCNH2 Q12809 2/20 0.33
HTR2A P28223 1/20 0.33
GRM2 Q14416 1/20 0.33
DRD3 P35462 1/20 0.31
NMT1 P30419 1/20 0.31
PLA2G2A P14555 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
SCHEMBL1814432 0.90 PIK3CG (0.37) ENPP2PIK3CGPIK3CDPIK3CAPIK3R1
SCHEMBL1816212 0.90 PIK3CG (0.40) ENPP2PIK3CGPIK3CDPIK3CAPIK3R1
SCHEMBL1817427 0.89 PIK3CG (0.56) PIK3CGPIK3CDPIK3CAPIK3R1PIK3CB
SCHEMBL1817429 0.89 PIK3CG (0.56) PIK3CGPIK3CDPIK3CAPIK3R1PIK3CB
SCHEMBL1819583 0.89 PIK3CG (0.40) ENPP2PIK3CGPIK3CDPIK3CAPIK3R1
SCHEMBL1819582 0.89 PIK3CG (0.40) ENPP2PIK3CGPIK3CDPIK3CAPIK3R1
SCHEMBL1813914 0.88 CHKA (0.36) ENPP2PIK3CGPIK3CDPIK3CAPIK3R1
SCHEMBL1818172 0.86 ENPP2 (0.40) ENPP2PIK3CG
SCHEMBL6875992 0.84 PIK3CG (0.41) ENPP2PIK3CGPIK3CDPIK3CAPIK3R1
SCHEMBL1819610 0.84 ENPP2 (0.45) ENPP2KCNH2

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 ENPP2 2659/4885PIK3CG 4046/4885PIK3CD 3649/4885

“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.