SCHEMBL16854832

SCHEMBL16854832

CC(C)n1ccc(C(F)(F)C(F)(F)F)n1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.35
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
ACHE P22303 1/20 0.31

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
SCHEMBL19608771 0.85
SCHEMBL950045 0.84 IDH1 (0.39) DYRK1AHDAC1HDAC6ACHE
SCHEMBL25144874 0.82 DYRK1A (0.36) DYRK1AHDAC1HDAC6ACHE
SCHEMBL15723799 0.82 DYRK1A (0.36) DYRK1AHDAC1HDAC6ACHE
SCHEMBL22056656 0.81 DYRK1A (0.35) DYRK1AHDAC1HDAC6ACHE
SCHEMBL21676107 0.78 DYRK1A (0.33) DYRK1AHDAC1HDAC6
SCHEMBL2765749 0.78
SCHEMBL2956511 0.78 DYRK1A (0.38) DYRK1A
SCHEMBL20757802 0.74 DYRK1A (0.31) DYRK1A
SCHEMBL2354268 0.74 KMT2A (0.38)

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-20170325459-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-11-16 US disclosed
US-20160340322-A1 SUBSTITUTED TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-11-24 US disclosed
EP-3085695-A1 SUBSTITUTED TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR Nissan Chemical Industries, Ltd. (JP) 2016-10-26 EP disclosed
WO-2015093534-A1 SUBSTITUTED TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR 日産化学工業株式会社 2015-06-25 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 (2 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-20160340322-A1 SUBSTITUTED TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR CACNA1E, CACNA1I, CACNA1G DYRK1A 2624/4885HDAC1 905/4885HDAC6 2809/4885
US-20170325459-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS DDT, BCHE, BAK1 DYRK1A 4348/4885HDAC1 441/4885HDAC6 1076/4885

“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.