SCHEMBL13065680

SCHEMBL13065680

C[Si](C)(C)C#Cc1cccc(NC(=O)c2cc(N)cc(C(=O)Nc3cccc([Si](C)(C)C)c3)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 7/20 0.42
▸ LCK P06239 1/20 0.40
▸ TEK Q02763 1/20 0.40
▸ PDGFRB P09619 4/20 0.40
▸ KDR P35968 4/20 0.40
▸ ABL1 P00519 3/20 0.39
▸ BCR P11274 3/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ PTPN11 Q06124 1/20 0.37
▸ GRM5 P41594 1/20 0.37

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
SCHEMBL13022962 0.91 IKBKB (0.47) IKBKBLCKTEKPDGFRBKDR
SCHEMBL13066001 0.84 TOP1 (0.46) MEN1KMT2ARXFP1
SCHEMBL13023160 0.82 IKBKB (0.44) IKBKBLCKTEKPDGFRBKDR
SCHEMBL2416002 0.80 KCNK3 (0.59) PDGFRBKDRMEN1KMT2APTPN11
SCHEMBL13023068 0.78 PTPN11 (0.60) IKBKBLCKTEKPDGFRBKDR
SCHEMBL13023126 0.76 IKBKB (0.56) IKBKBLCKTEKPDGFRBKDR
SCHEMBL13023070 0.75 LMNA (0.47) IKBKBLCKTEKPDGFRBKDR
SCHEMBL13023127 0.75 KCNK3 (0.50) IKBKBLCKTEKPDGFRBKDR
SCHEMBL13023102 0.75 IKBKB (0.55) IKBKBLCKTEKABL1BCR
SCHEMBL13023107 0.75 NPC1 (0.54) IKBKBPDGFRBKDRMEN1KMT2A

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-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF FUJIFILM CORPORATION (JP) 2010-11-11 — — 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-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF KAT8, HDAC10, SSRP1 IKBKB 1528/4885LCK 3869/4885TEK 4288/4885

“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.

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