SCHEMBL1609781

SCHEMBL1609781

COC(=O)c1nc(C2CC2)nc(NCc2ccccc2C(F)(F)F)c1Cl

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.45
SRC P12931 1/20 0.45
EPHX2 P34913 6/20 0.42
CYP2C9 P11712 4/20 0.42
PDE10A Q9Y233 1/20 0.42
P2RX7 Q99572 6/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90B1 P14625 1/20 0.39
AURKA O14965 1/20 0.39
RPS6KB1 P23443 1/20 0.39
AURKB Q96GD4 1/20 0.39
PRKCQ Q04759 1/20 0.38

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
SCHEMBL1610382 0.87 PDE10A (0.44) PDE10AALDH1A1SMN1; SMN2HSD17B10HSP90AA1
SCHEMBL1608875 0.87 ALDH1A1 (0.51) PDE10AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL1609763 0.86 PDE10A (0.47) ABL1SRCPDE10AALDH1A1SMN1; SMN2
SCHEMBL1609068 0.85 PDE10A (0.44) ABL1SRCPDE10AALDH1A1SMN1; SMN2
SCHEMBL1610305 0.85 PDE10A (0.44) ABL1SRCPDE10AALDH1A1SMN1; SMN2
SCHEMBL1610277 0.85 PDE10A (0.44) PDE10AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL1610228 0.83 CHRM3 (0.43) PDE10AP2RX7ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL1609556 0.82 KDM4E (0.43) CYP2C9PDE10AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL1609704 0.82 PDE10A (0.62) CYP2C9PDE10AALDH1A1
SCHEMBL1609710 0.82 PDE10A (0.47) PDE10AAURKARPS6KB1

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 ABL1 424/4885SRC 2111/4885EPHX2 571/4885

“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.