SCHEMBL10183015

SCHEMBL10183015

CC(C)(C)c1cnc(N)n1C1CC1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP1A2 P05177 2/20 0.32
KMT2A Q03164 2/20 0.32
HSD17B10 Q99714 2/20 0.32
USP2 O75604 1/20 0.31
GLA P06280 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL10183005 0.70 CYP1A2 (0.42) MEN1CYP1A2KMT2AUSP2CYP3A4
SCHEMBL10183000 0.65 CYP1A2 (0.38) MEN1ALDH1A1CYP1A2KMT2A
SCHEMBL21849111 0.63 MGLL (0.31) ALDH1A1
SCHEMBL21590000 0.63 PIK3CA (0.33) ALDH1A1CYP1A2CYP3A4
SCHEMBL25857280 0.63 HSP90AA1 (0.40)
SCHEMBL18367553 0.62 ALDH1A1 (0.40) ALDH1A1
SCHEMBL26153029 0.62 DRD2 (0.33)
SCHEMBL13843844 0.60 PDE1B (0.33)
SCHEMBL26153014 0.60 MTOR (0.40)
SCHEMBL26151693 0.58 DRD2 (0.36) ALDH1A1CYP3A4

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 MEN1 2395/4885ALDH1A1 1934/4885CYP1A2 2345/4885

“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.