SCHEMBL16276754

SCHEMBL16276754

Cc1nnc(C)c2c[nH]cc12

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL16276752 0.67 SMN1; SMN2 (0.34) ADORA2AADORA2BKDM4ESMN1; SMN2
SCHEMBL8404576 0.65 CYP1A2 (0.47) ALDH1A1
SCHEMBL89446 0.65 SMN1; SMN2 (0.58) ALDH1A1SMN1; SMN2
SCHEMBL12967591 0.65 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL31073495 0.62 MEN1 (0.32) SMN1; SMN2
SCHEMBL31073503 0.62 ALDH1A1 (0.33) KDM4EALDH1A1SMN1; SMN2
Ammonia Solution, Strong SCHEMBL27658861 0.62 SMN1; SMN2 (0.56) ALDH1A1SMN1; SMN2
SCHEMBL149977 0.60
SCHEMBL27285039 0.60 GAA (0.39) KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL16281253 0.57 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2

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 ADORA2A 2940/4885ADORA2B 2951/4885KDM4E 470/4885

“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.