SCHEMBL21361223

SCHEMBL21361223

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

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.37
JAK1 P23458 5/20 0.37
JAK3 P52333 3/20 0.36
FASN P49327 2/20 0.36
IRAK4 Q9NWZ3 4/20 0.35
PIK3CA P42336 1/20 0.35
MTOR P42345 1/20 0.35
TBK1 Q9UHD2 2/20 0.34
ENPP2 Q13822 1/20 0.34
ATXN2 Q99700 1/20 0.34
CNR2 P34972 1/20 0.34
P2RX7 Q99572 1/20 0.34

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
SCHEMBL24120430 0.91 JAK3 (0.34) JAK2JAK3FASNIRAK4TBK1
SCHEMBL21361296 0.90 MAPK1 (0.44) IRAK4PIK3CAMTORENPP2ATXN2
SCHEMBL21361283 0.89 CYP1A2 (0.41) FASNIRAK4PIK3CAMTOR
SCHEMBL21361291 0.88 FASN (0.37) FASNIRAK4ENPP2ATXN2
SCHEMBL24324810 0.88 ACACA (0.35) FASNPIK3CAMTORCNR2P2RX7
SCHEMBL21361287 0.87 IRAK4 (0.37) FASNIRAK4PIK3CAMTORCNR2
SCHEMBL21361286 0.86 IRAK4 (0.36) FASNIRAK4PIK3CAMTORTBK1
SCHEMBL24324819 0.85 FASN (0.35) FASNCNR2P2RX7
SCHEMBL21361301 0.85 GRM5 (0.45) FASN
SCHEMBL24120318 0.85 PDCD1LG2 (0.36) JAK2JAK1JAK3FASNIRAK4

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 JAK2 3641/4885JAK1 4550/4885JAK3 4312/4885

“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.