SCHEMBL10183098

SCHEMBL10183098

CC(C)(C)c1cncn1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
ALDH1A1 P00352 1/20 0.40
FGFR1 P11362 4/20 0.40
RAB9A P51151 1/20 0.38
HTT P42858 1/20 0.37
NOS1 P29475 3/20 0.37
GABRA5 P31644 1/20 0.36
CYP3A4 P08684 1/20 0.35
LOX P28300 1/20 0.35
SRC P12931 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
SCHEMBL26164133 0.84 HSP90AA1 (0.40) HSP90AA1HSP90AB1ALDH1A1FGFR1RAB9A
SCHEMBL3272205 0.75 CYP3A4 (0.53) HSP90AA1HSP90AB1ALDH1A1FGFR1RAB9A
SCHEMBL22951350 0.74 ALDH1A1 (0.30) ALDH1A1
SCHEMBL20033972 0.72 HSP90AA1 (0.51) HSP90AA1HSP90AB1ALDH1A1FGFR1RAB9A
SCHEMBL26164132 0.72 RAB9A (0.51) HSP90AA1HSP90AB1ALDH1A1RAB9ANOS1
SCHEMBL5172891 0.71 HSP90AA1 (0.46) HSP90AA1HSP90AB1ALDH1A1FGFR1RAB9A
SCHEMBL26164131 0.71 HTT (0.44) HSP90AA1HSP90AB1ALDH1A1FGFR1RAB9A
SCHEMBL544333 0.71 NOS1 (0.42) HSP90AA1HSP90AB1FGFR1RAB9AHTT
SCHEMBL12769723 0.71 ATM (0.44) ALDH1A1CYP3A4LOX
SCHEMBL28274098 0.71 HSP90AA1 (0.43) HSP90AA1HSP90AB1ALDH1A1FGFR1RAB9A

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 HSP90AA1 765/4885HSP90AB1 563/4885ALDH1A1 1934/4885

“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.