SCHEMBL17017274

SCHEMBL17017274

CCn1ncc2c(NN=C(C)C)c(C(C)=O)cnc21

nearest known ligand 0.76

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.76
MAPT P10636 1/20 0.76
HPGD P15428 1/20 0.76
BLM P54132 1/20 0.76
PMP22 Q01453 1/20 0.76
KMT2A Q03164 1/20 0.76
PDE4B Q07343 15/20 0.49
PDE5A O76074 2/20 0.49
NR3C1 P04150 3/20 0.44

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
SCHEMBL5023086 0.91 MEN1 (0.74) MEN1MAPTHPGDBLMPMP22
SCHEMBL11531345 0.90 MEN1 (0.72) MEN1MAPTHPGDBLMPMP22
Etazolate SCHEMBL29824913 0.87 MEN1 (0.98) MEN1MAPTHPGDBLMPMP22
Etazolate SCHEMBL16703320 0.87 MEN1 (0.98) MEN1MAPTHPGDBLMPMP22
Etazolate SCHEMBL123105 0.86 MEN1 (1.00) MEN1MAPTHPGDBLMPMP22
Etazolate SCHEMBL1004450 0.85 MEN1 (0.94) MEN1MAPTHPGDBLMPMP22
Etazolate SCHEMBL16702579 0.85 MEN1 (0.94) MEN1MAPTHPGDBLMPMP22
SCHEMBL2459284 0.84 MEN1 (0.79) MEN1MAPTHPGDBLMPMP22
SCHEMBL13987138 0.81 MEN1 (0.52) MEN1MAPTHPGDBLMPMP22
SCHEMBL13987114 0.79 PDE4B (0.54) MEN1MAPTHPGDBLMPMP22

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-20150231149-A1 SPERM FUNCTION/ACTIVITY UNIVERSITY OF DUNDEE (GB) 2015-08-20 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-20150231149-A1 SPERM FUNCTION/ACTIVITY PDE5A, PDE4A, PDE12 MEN1 3507/4885MAPT 4626/4885HPGD 1474/4885

“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.