SCHEMBL11903110

SCHEMBL11903110

COC(=O)c1nc(-c2ccc(Cl)c(N(C)C)c2F)nc2[nH]cc(C)c12

nearest known ligand 0.31

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 2/20 0.31
▸ PRKACA P17612 2/20 0.31
▸ PRKACG P22612 2/20 0.31
▸ PRKACB P22694 2/20 0.31
▸ LIMK1 P53667 2/20 0.31
▸ LIMK2 P53671 2/20 0.31
▸ KMO O15229 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ PKM P14618 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ ALPL P05186 1/20 0.30
▸ NR4A2 P43354 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
SCHEMBL1654718 0.87 TAS1R3 (0.34) KMOKMT2AKDM4EALDH1A1PKM
SCHEMBL11903262 0.84 LIMK1 (0.31) LIMK1MEN1GAAKMT2AKDM4E
SCHEMBL11913440 0.83 TGFBR1 (0.30) —
SCHEMBL10252352 0.81 KDM4E (0.35) MEN1GAAKMT2AKDM4EALDH1A1
SCHEMBL1655510 0.80 ALPL (0.32) ROCK2PRKACAPRKACGPRKACBLIMK1
SCHEMBL11903334 0.79 JAK3 (0.38) MEN1KMT2AALDH1A1NPSR1HSD17B10
SCHEMBL11902200 0.78 MEP1B (0.34) ROCK2KMO
SCHEMBL1654720 0.78 KMO (0.41) KMOMEN1KMT2AKDM4EALDH1A1
SCHEMBL12786369 0.78 DYRK1A (0.34) LIMK1KDM4EALDH1A1HSD17B10
SCHEMBL116281 0.78 KDM4E (0.36) MEN1GAAKMT2AKDM4EALDH1A1

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-20120202690-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (US) 2012-08-09 — — US disclosed
US-20120202690-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (US) 2012-08-09 — — US disclosed
WO-2011045561-A2 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2011-04-21 — — 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-20120202690-A1 HERBICIDAL COMPOUNDS DDT, HAO2, HAAO ROCK2 3429/4885PRKACA 1679/4885PRKACG 962/4885

“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.

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