SCHEMBL21361287

SCHEMBL21361287

Cc1cc(-c2ccc(C#N)cn2)cc(C)c1C1C(=O)CC2(CCN(C(=O)C(C)(C)C)CC2)CC1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.37
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
HSD11B1 P28845 1/20 0.35
ACACA Q13085 2/20 0.34
FASN P49327 7/20 0.34
CNR2 P34972 2/20 0.33
EGLN1 Q9GZT9 2/20 0.33
PRKAB2 O43741 1/20 0.33
PRKAG1 P54619 1/20 0.33
PRKAA2 P54646 1/20 0.33
PRKAA1 Q13131 1/20 0.33
PRKAG3 Q9UGI9 1/20 0.33
PRKAG2 Q9UGJ0 1/20 0.33
PRKAB1 Q9Y478 1/20 0.33
KCNJ1 P48048 1/20 0.33
P2RX7 Q99572 1/20 0.33
PIK3CA P42336 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
SCHEMBL24120096 0.91 PDK1 (0.36) IRAK4PDK1PDK2CYP3A4CYP2C9
SCHEMBL21361283 0.90 CYP1A2 (0.41) IRAK4CYP2C9ACACAFASNPIK3CA
SCHEMBL21361294 0.89 PANK3 (0.35) PDK1PDK2CYP3A4CYP2C9HSD11B1
SCHEMBL21361290 0.89 CSNK1E (0.39) PDK1PDK2CYP3A4CYP2C9HSD11B1
SCHEMBL24324810 0.89 ACACA (0.35) CYP2C9ACACAFASNCNR2EGLN1
SCHEMBL21361291 0.89 FASN (0.37) IRAK4ACACAFASN
SCHEMBL21361286 0.87 IRAK4 (0.36) IRAK4PDK1PDK2CYP3A4CYP2C9
SCHEMBL21361223 0.87 JAK2 (0.37) IRAK4FASNCNR2P2RX7PIK3CA
SCHEMBL24324819 0.86 FASN (0.35) ACACAFASNCNR2EGLN1KCNJ1
SCHEMBL21361301 0.86 GRM5 (0.45) PDK1PDK2CYP3A4ACACAFASN

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
EP-3765445-B1 SPIRO CYCLOHEXANEDIONE DERIVATES AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2023-08-30 EP disclosed
US-20210000113-A1 SPIRO CYCLOHEXANEDIONE DERIVATES AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2021-01-07 US disclosed
WO-2019175117-A1 SPIRO CYCLOHEXANEDIONE DERIVATES AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2019-09-19 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-20210000113-A1 SPIRO CYCLOHEXANEDIONE DERIVATES AS HERBICIDES CBR3, DDT, CBR1 IRAK4 2073/4885PDK1 146/4885PDK2 140/4885

“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.