SCHEMBL20320331

SCHEMBL20320331

Cc1cc(C#N)n(CC(F)(F)F)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ6 P48051 1/20 0.39
KCNJ5 P48544 1/20 0.39
KCNJ3 P48549 1/20 0.39
KDM4E B2RXH2 6/20 0.34
ALDH1A1 P00352 3/20 0.34
GLA P06280 1/20 0.34
HTT P42858 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
GLS O94925 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
POLB P06746 1/20 0.32
LMNA P02545 3/20 0.32
RECQL P46063 1/20 0.32
PDE10A Q9Y233 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
KMT2A Q03164 1/20 0.30
ESR1 P03372 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
SCHEMBL15747082 0.77 KDM4E (0.38) KCNJ6KCNJ5KCNJ3KDM4EALDH1A1
SCHEMBL7055414 0.77 LMNA (0.38) KDM4EALDH1A1GLAHTTGLS
SCHEMBL7055416 0.77 LMNA (0.38) KDM4EALDH1A1GLAHTTGLS
SCHEMBL12462755 0.77 KCNJ6 (0.44) KCNJ6KCNJ5KCNJ3KDM4EALDH1A1
SCHEMBL13299192 0.76 ALDH1A1 (0.53) KCNJ6KCNJ5KCNJ3KDM4EALDH1A1
SCHEMBL24239290 0.73 KCNJ6 (0.41) KCNJ6KCNJ5KCNJ3KDM4EALDH1A1
SCHEMBL14621515 0.71 KCNJ6 (0.40) KCNJ6KCNJ5KCNJ3KDM4EALDH1A1
SCHEMBL12859230 0.71 KCNJ6 (0.40) KCNJ6KCNJ5KCNJ3KDM4EALDH1A1
SCHEMBL17321052 0.70 KCNJ6 (0.39) KCNJ6KCNJ5KCNJ3KDM4EALDH1A1
SCHEMBL14653933 0.70 KCNJ6 (0.39) KCNJ6KCNJ5KCNJ3KDM4EALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES BAYER AG (DE) 2020-12-17 US disclosed
WO-2018114596-A1 SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-06-28 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-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES DDT, NOTUM, AGPS KCNJ6 1256/4885KCNJ5 1548/4885KCNJ3 1583/4885

“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.