SCHEMBL16276752

SCHEMBL16276752

Cc1nnc(C)c2cn(C)cc12

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.34
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL19939414 0.66 MAPT (0.33) ADORA2AADORA2BKDM4E
SCHEMBL12967591 0.63 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL822532 0.61 GPR3 (0.46) SMN1; SMN2KDM4E
SCHEMBL31073495 0.61 MEN1 (0.32) SMN1; SMN2
SCHEMBL31073503 0.61 ALDH1A1 (0.33) SMN1; SMN2KDM4E
SCHEMBL5004695 0.55 ALDH1A1 (0.36)
SCHEMBL256353 0.55 MEN1 (0.33)
SCHEMBL16860627 0.54
SCHEMBL9596236 0.54
SCHEMBL12263871 0.54

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9579319-B2 Heterocyclic compounds as hedgehog signaling pathway inhibitors REDX PHARMA PLC (GB) 2017-02-28 US disclosed
US-20160113928-A1 HETEROCYCLIC COMPOUNDS AS HEDGEHOG SIGNALING PATHWAY INHIBITORS REDX PHARMA PLC (GB) 2016-04-28 US disclosed
WO-2014191737-A1 HETEROCYCLIC COMPOUNDS AS HEDGEHOG SIGNALING PATHWAY INHIBITORS REDX PHARMA LIMITED (GB) 2014-12-04 WO 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-20160113928-A1 HETEROCYCLIC COMPOUNDS AS HEDGEHOG SIGNALING PATHWAY INHIBITORS SMO, SHH, GLI1 SMN1; SMN2 3520/4885ADORA2A 2940/4885ADORA2B 2951/4885

“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.