SCHEMBL12574602

SCHEMBL12574602

Nc1nnc2c(N3CCCCC3)nccn12

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.51
GRIA1 P42261 2/20 0.41
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL25598060 0.79 ADORA3 (0.50) ADORA3GRIA1
SCHEMBL12575025 0.77 ADORA3 (0.48) ADORA3GRIA1KDM4ELMNATSHR
SCHEMBL12637358 0.73 ADORA3 (0.47) ADORA3GRIA1TSHR
SCHEMBL25598043 0.72 ADORA3 (0.50) ADORA3GRIA1
SCHEMBL25679120 0.72 ADORA3 (0.50) ADORA3GRIA1
SCHEMBL2051482 0.71 STAT3 (0.49) KDM4ELMNA
SCHEMBL21138170 0.71 ADORA3 (0.41) ADORA3
SCHEMBL21138462 0.71 ADORA3 (0.41) ADORA3
SCHEMBL21138160 0.71 ADORA3 (0.41) ADORA3
SCHEMBL12574605 0.70 MAPK14 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329705-B2 Substituted triazolo-pyrazine compounds ARQULE, INC. (US) 2012-12-11 US disclosed
US-20110160215-A1 Substituted Triazolo-Pyrazine Compounds ARQULE, INC. (US) 2011-06-30 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-20110160215-A1 Substituted Triazolo-Pyrazine Compounds MKI67, TP53, THPO ADORA3 1835/4885GRIA1 2924/4885KDM4E 3014/4885

“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.