SCHEMBL1610136

SCHEMBL1610136

COC(=O)c1nc(C2CC2)nc(N[C@H](C)c2cccc3ccccc23)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.42
RPS6KB1 P23443 1/20 0.42
AURKB Q96GD4 1/20 0.42
CYP2D6 P10635 4/20 0.42
SOS1 Q07889 6/20 0.41
KRAS P01116 6/20 0.41
EGFR P00533 1/20 0.41
PDE10A Q9Y233 1/20 0.39
SSTR4 P31391 1/20 0.39
METAP2 P50579 1/20 0.38
METAP1 P53582 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL1610138 1.00 AURKA (0.42) AURKARPS6KB1AURKBCYP2D6SOS1
SCHEMBL1610170 0.84 PDE10A (0.50) SOS1KRASEGFRPDE10A
SCHEMBL1610091 0.82 P2RX3 (0.46) PDE10AMEN1KMT2A
SCHEMBL1610628 0.81 ADORA2A (0.42) PDE10A
SCHEMBL1611113 0.81 PDE10A (0.41) PDE10A
SCHEMBL1609803 0.80 PDE10A (0.50) PDE10A
SCHEMBL12712871 0.80 PDE10A (0.46) SOS1PDE10A
SCHEMBL1610197 0.80 PDE10A (0.41) SOS1PDE10A
SCHEMBL12712886 0.80 PDE10A (0.46) SOS1PDE10A
SCHEMBL12712873 0.79 PDE10A (0.52) SOS1PDE10A

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 AURKA 1490/4885RPS6KB1 4276/4885AURKB 2689/4885

“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.