SCHEMBL10183244

SCHEMBL10183244

CC(C)N1CC(n2cnc3cnc(C(C)(C)C)cc32)C1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 15/20 0.35
ALDH1A1 P00352 1/20 0.31
GLRA3 O75311 1/20 0.31
GLRB P48167 1/20 0.31
MEN1 O00255 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
EGFR P00533 2/20 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
SCHEMBL10183230 0.85 GLRA3 (0.35) IDO1GLRA3GLRBEGFR
SCHEMBL10183626 0.83 EGFR (0.40) IDO1ALDH1A1HPGDEGFR
SCHEMBL10183159 0.82 JAK1 (0.35) IDO1GLRA3GLRBEGFR
SCHEMBL10183143 0.81 GAA (0.44) ALDH1A1MEN1HPGDKMT2AEGFR
SCHEMBL10183124 0.81 EGFR (0.42) ALDH1A1MEN1HPGDKMT2AEGFR
SCHEMBL10183630 0.80 EGFR (0.45) ALDH1A1EGFR
SCHEMBL10183137 0.80 GAA (0.46) ALDH1A1MEN1HPGDKMT2AEGFR
SCHEMBL10183263 0.80 GLRA3 (0.41) IDO1ALDH1A1GLRA3GLRBMEN1
SCHEMBL10183257 0.80 IDO1 (0.37) IDO1ALDH1A1
SCHEMBL10235422 0.79 IDO1 (0.34) IDO1ALDH1A1MEN1HPGDKMT2A

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-20120040951-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. 2012-02-16 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-20120040951-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF IDO1 3440/4885ALDH1A1 1934/4885GLRA3 3612/4885

“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.