SCHEMBL1610967

SCHEMBL1610967

COC(=O)c1nc(C2CC2)nc(NCCN2CCNC2=O)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 3/20 0.38
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
PDE10A Q9Y233 3/20 0.37
KCNH2 Q12809 1/20 0.37
SCN9A Q15858 2/20 0.36
HPGDS O60760 1/20 0.36
KMT2A Q03164 2/20 0.36
RAB9A P51151 1/20 0.36
RAF1 P04049 2/20 0.35
IRAK1 P51617 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
PLAT P00750 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL1609457 0.82 KDM4E (0.42) PDE10AKDM4EALDH1A1LMNA
SCHEMBL1610336 0.78 PGK1 (0.46) ADORA1KMT2ARAB9AKDM4EALDH1A1
SCHEMBL1609076 0.77 PDE10A (0.41) PDE10AALDH1A1
SCHEMBL1608711 0.75 PDE10A (0.41) PDE10AALDH1A1
SCHEMBL1609242 0.74 TSHR (0.42) RAB9AKDM4EALDH1A1LMNA
SCHEMBL1609746 0.74 SOD1 (0.44) KMT2AKDM4EALDH1A1LMNA
SCHEMBL13769317 0.74 LMNA (0.39) PDE10AKMT2AKDM4EALDH1A1LMNA
SCHEMBL1610344 0.74 PDE10A (0.44) PDE10AKMT2ARAB9AALDH1A1LMNA
SCHEMBL1609426 0.73 PDE10A (0.48) PDE10ARAB9AKDM4EALDH1A1LMNA
SCHEMBL11902908 0.73 PDE10A (0.41) PDE10AALDH1A1LMNA

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 3 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

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 BRAF 805/4885ADORA2A 1194/4885ADORA1 909/4885

“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.