SCHEMBL1611017

SCHEMBL1611017

COC(=O)c1nc(C2CC2)nc(NC2(c3ccc(Cl)nc3)CC2)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.38
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
P2RX7 Q99572 4/20 0.32
PDE10A Q9Y233 2/20 0.32
HDAC3 O15379 3/20 0.32
HDAC1 Q13547 3/20 0.32
HDAC2 Q92769 3/20 0.32
HDAC6 Q9UBN7 3/20 0.32
SLC6A3 Q01959 2/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KMT2A Q03164 1/20 0.31
SMYD3 Q9H7B4 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL1611006 0.91 PDE10A (0.41) PDE2AP2RX7PDE10AHDAC3HDAC1
SCHEMBL1610062 0.88 PDE2A (0.40) PDE2AHDAC3HDAC1HDAC2HDAC6
SCHEMBL1609780 0.80 ADORA2A (0.40) LMNAMAPK1PDE10ASLC6A3KDM4E
SCHEMBL1610283 0.79 FPR2 (0.35) PDE10ASLC6A3KDM4EHSD17B10
SCHEMBL12712709 0.78 SLC6A3 (0.40) P2RX7HDAC3HDAC1HDAC2HDAC6
SCHEMBL1610052 0.73 SLC6A3 (0.38) SLC6A3CYP3A4KMT2ANPC1RAB9A
SCHEMBL1609934 0.71 SLC6A3 (0.35) SLC6A3KDM4EMAPTRAB9A
SCHEMBL1610327 0.71 PDE10A (0.42) MAPK1PDE10ASLC6A3KDM4EMAPT
SCHEMBL1610775 0.71 PDE10A (0.35) LMNAMAPK1PDE10ASLC6A3KDM4E
SCHEMBL12713074 0.71 PDE10A (0.35) LMNAMAPK1PDE10ASLC6A3KDM4E

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
US-20110086759-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-04-14 US disclosed
US-20110086759-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-04-14 US disclosed
US-20110086759-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2011-04-14 US disclosed
WO-2009081112-A2 CHEMICAL COMPOUNDS SYNGENTA LIMITED (GB) 2009-07-02 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-20110086759-A1 CHEMICAL COMPOUNDS DDT, PNPO, CBR3 PDE2A 1196/4885LMNA 4805/4885MAPK1 1418/4885

“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.