SCHEMBL1609253

SCHEMBL1609253

COC(=O)c1nc(C2CC2)nc(NCc2ccc(F)cc2F)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 8/20 0.40
PDE10A Q9Y233 3/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
NTRK3 Q16288 2/20 0.38
NTRK2 Q16620 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
AURKA O14965 1/20 0.37
RPS6KB1 P23443 1/20 0.37
AURKB Q96GD4 1/20 0.37
PDE2A O00408 1/20 0.37
PRKCQ Q04759 1/20 0.37
P2RX7 Q99572 2/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CHRM3 P20309 1/20 0.36

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
SCHEMBL1610289 0.92 ADORA3 (0.39) NTRK1PDE10ATP53MAPTPDE2A
SCHEMBL1610988 0.92 HPGD (0.40) NTRK1PDE10AP2RX7CHRM3PDE4A
SCHEMBL1609826 0.89 PDE10A (0.38) PDE10ACYP2D6ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL1610382 0.88 PDE10A (0.44) PDE10ATP53MAPTALDH1A1SMN1; SMN2
SCHEMBL1609715 0.85 PDE10A (0.48) PDE10AMAPTCYP1A2CYP2D6CYP2C9
SCHEMBL1610245 0.84 PDE10A (0.47) NTRK1PDE10ANTRK3NTRK2AURKA
SCHEMBL1610228 0.84 CHRM3 (0.43) NTRK1PDE10ATP53MAPTAURKA
SCHEMBL1609110 0.84 HPGD (0.50) PDE10APRKCQP2RX7ALDH1A1SMN1; SMN2
SCHEMBL1610158 0.83 PDE10A (0.43) PDE10ACYP2D6CHRM3PDE4APDE4B
SCHEMBL1610348 0.83 OPRM1 (0.35)

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 NTRK1 2192/4885PDE10A 1704/4885TP53 731/4885

“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.