SCHEMBL24120441

SCHEMBL24120441

Cc1cc(-c2ccc(C#N)cn2)cc(C)c1C1C(=O)CC2(CC1=O)CN(C(=O)NC(C)(C)C)C2

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 6/20 0.40
CSNK1D P48730 3/20 0.40
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
TGFBR1 P36897 1/20 0.34
EGLN1 Q9GZT9 2/20 0.34
FASN P49327 2/20 0.33
PANK3 Q9H999 1/20 0.33
CNR2 P34972 1/20 0.33
CETP P11597 1/20 0.33
P2RX7 Q99572 1/20 0.33
EGLN2 Q96KS0 1/20 0.33
SSTR4 P31391 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
SCHEMBL24120135 0.94 CSNK1E (0.37) CSNK1ECSNK1DPDK1PDK2TGFBR1
SCHEMBL21361290 0.92 CSNK1E (0.39) CSNK1ECSNK1DPDK1PDK2EGLN1
SCHEMBL24120338 0.90 PDK1 (0.34) PDK1PDK2FASNPANK3CNR2
SCHEMBL24120096 0.89 PDK1 (0.36) PDK1PDK2EGLN1FASNCNR2
SCHEMBL24120330 0.88 PDK1 (0.36) PDK1PDK2EGLN1FASNP2RX7
SCHEMBL24120313 0.88 EGLN1 (0.37) EGLN1FASNPANK3CNR2P2RX7
SCHEMBL24120356 0.86 CSNK1E (0.38) CSNK1ECSNK1DTGFBR1
SCHEMBL24120146 0.86 FASN (0.38) PDK1PDK2FASN
SCHEMBL24120430 0.85 JAK3 (0.34) PDK1PDK2FASNP2RX7
SCHEMBL24120479 0.85 PDK1 (0.34) PDK1PDK2EGLN1FASNP2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210395196-A1 HERBICIDAL 2-AZASPIRO[3-5]NONANE COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2021-12-23 US 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-20210395196-A1 HERBICIDAL 2-AZASPIRO[3-5]NONANE COMPOUNDS DDT, AZI2, CBR3 CSNK1E 4114/4885CSNK1D 4170/4885PDK1 1380/4885

“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.