SCHEMBL3583637

SCHEMBL3583637

FC(F)(F)c1[c]ccc(-c2ccccc2Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.50
PDK2 Q15119 1/20 0.43
CYP2A6 P11509 1/20 0.42
RORC P51449 1/20 0.38
RORB Q92753 1/20 0.38
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
BACE1 P56817 1/20 0.36
TRPA1 O75762 1/20 0.36
HSD11B1 P28845 2/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
DHODH Q02127 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
MAOB P27338 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33

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
SCHEMBL15638417 0.86 AR (0.38) ARPDK2RORCRORB
SCHEMBL15637460 0.82 AHR (0.44) ARPDK2PTGS1PTGS2HSD11B1
SCHEMBL6668303 0.81 AR (0.51) ARBACE1TRPA1HSD11B1ALOX5AP
SCHEMBL2431244 0.81 PDK2 (0.42) ARPDK2PTGS1PTGS2BACE1
SCHEMBL979837 0.81 GRIA1 (0.36) ARPDK2RORCRORB
SCHEMBL15637194 0.80 ALDH1A1 (0.42) ARPDK2HSD11B1MAOB
SCHEMBL6334161 0.80 AR (0.50) ARPDK2BACE1TRPA1JAK3
SCHEMBL15637828 0.78 METAP2 (0.36) ARDHODH
SCHEMBL1275074 0.78 MCL1 (0.42) DHODH
SCHEMBL15637453 0.77 CYP2A6 (0.47) ARPDK2CYP2A6PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100022526-A1 PYRIDAZINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-01-28 US claimed
EP-2121628-A1 PYRIDAZINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES Syngenta Participations AG (CH) 2009-11-25 EP claimed
WO-2008089934-A1 PYRIDAZINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-07-31 WO claimed
EP-3126335-A1 N-(1-(HETERO)ARYL-1H-PYRAZOL-4-YL)-(HETERO)ARYLAMIDE DERIVATIVES AND USE THEREOF AS PESTICIDES Bayer CropScience Aktiengesellschaft (DE) 2017-02-08 EP disclosed
EP-3113618-A1 HETEROCYCLIC COMPOUNDS AS PEST CONTROL AGENTS Bayer CropScience Aktiengesellschaft (DE) 2017-01-11 EP disclosed
WO-2015150300-A1 N-(1-(HETERO)ARYL-1H-PYRAZOL-4-YL)-(HETERO)ARYLAMIDE DERIVATIVES AND USE THEREOF AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2015-10-08 WO disclosed
WO-2015132313-A1 HETEROCYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AG (DE) 2015-09-11 WO disclosed
EP-2903440-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES Bayer CropScience AG (DE) 2015-08-12 EP disclosed
WO-2014053450-A1 HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2014-04-10 WO disclosed
US-20100022526-A1 PYRIDAZINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-01-28 US disclosed
EP-2121628-A1 PYRIDAZINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES Syngenta Participations AG (CH) 2009-11-25 EP disclosed
WO-2008089934-A1 PYRIDAZINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-07-31 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-20100022526-A1 PYRIDAZINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES CYP4Z1, CYP1A2, CYP1A1 AR 2028/4885PDK2 279/4885CYP2A6 90/4885

“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.