SCHEMBL4497035

SCHEMBL4497035

[C-]#[N+]c1ccc2c(c1)CC/C2=N\O[Si](C)(C)C(C)(C)C

nearest known ligand 0.30

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
NFKB1 P19838 1/20 0.30
RAB9A P51151 1/20 0.30
NFKB2 Q00653 1/20 0.30
KMT2A Q03164 1/20 0.30
RELA Q04206 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL4487934 1.00 MAPT (0.30) MAPTMEN1NPC1ALDH1A1NFKB1
SCHEMBL4724633 0.80 SRD5A1 (0.36) MAPTMEN1NPC1ALDH1A1NFKB1
SCHEMBL5621592 0.80 CASP1 (0.41) MAPTMEN1NPC1ALDH1A1NFKB1
SCHEMBL4722731 0.80 SRD5A1 (0.36) MAPTMEN1NPC1ALDH1A1NFKB1
SCHEMBL4791976 0.80 SRD5A1 (0.36) MAPTMEN1NPC1ALDH1A1NFKB1
SCHEMBL4761270 0.80 CASP1 (0.41) MAPTMEN1NPC1ALDH1A1NFKB1
SCHEMBL9075055 0.79 HTT (0.31) MAPTMEN1NPC1ALDH1A1NFKB1
SCHEMBL9075051 0.79 HTT (0.31) MAPTMEN1NPC1ALDH1A1NFKB1
SCHEMBL9075058 0.79 HTT (0.31) MAPTMEN1NPC1ALDH1A1NFKB1
SCHEMBL13790132 0.77 HTT (0.33) MAPTMEN1NPC1ALDH1A1NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7566716-B2 Imidazopyrazines as Raf inhibitor compounds ARRAY BIOPHARMA INC. (US) 2009-07-28 US disclosed
EP-1902056-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2008-03-26 EP disclosed
US-20060281751-A1 Raf inhibitor compounds and methods of use thereof ARRAY BIOPHARMA, INC. 2006-12-14 US disclosed
WO-2006125101-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2006-11-23 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-20060281751-A1 Raf inhibitor compounds and methods of use thereof BRAF, RAF1, ARAF MAPT 521/4885MEN1 829/4885NPC1 1861/4885

“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.