SCHEMBL12438210

SCHEMBL12438210

CCc1cnc2nc(C(C)(C)C)[nH]c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.44
HSD17B10 Q99714 1/20 0.44
BRAF P15056 1/20 0.38
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CFB P00751 2/20 0.35
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
HPGD P15428 4/20 0.34
POLB P06746 2/20 0.34
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PARP1 P09874 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32

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
SCHEMBL23664110 0.78 HTT (0.70) HTTHSD17B10BRAFALDH1A1SMN1; SMN2
SCHEMBL15108922 0.78 SMN1; SMN2 (0.59) HTTHSD17B10BRAFALDH1A1SMN1; SMN2
SCHEMBL13154979 0.78 HTT (0.47) HTTHSD17B10BRAFALDH1A1SMN1; SMN2
SCHEMBL15746231 0.78 HTT (0.47) HTTHSD17B10BRAFALDH1A1SMN1; SMN2
SCHEMBL12231810 0.78 NOS3 (0.44) HTTHSD17B10BRAFALDH1A1SMN1; SMN2
SCHEMBL12232009 0.74 HSD17B10 (0.38) HTTHSD17B10BRAFALDH1A1SMN1; SMN2
SCHEMBL13122856 0.74 HTT (0.44) HTTHSD17B10BRAFALDH1A1SMN1; SMN2
SCHEMBL12231816 0.72 ALDH1A1 (0.54) HTTHSD17B10ALDH1A1SMN1; SMN2HPGD
SCHEMBL18400252 0.71 RIPK1 (0.37) HTTHSD17B10BRAF
SCHEMBL14336558 0.69 METAP2 (0.44) HTTHSD17B10ALDH1A1SMN1; SMN2ADORA3

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-20110189129-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-08-04 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-20110189129-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, HCCS, NSUN2 HTT 4314/4885HSD17B10 1474/4885BRAF 4102/4885

“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.