SCHEMBL17482199

SCHEMBL17482199

Nc1nnc2nnc(-n3cccn3)nn12

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 15/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
TDO2 P48775 1/20 0.36
LMNA P02545 2/20 0.34
HTT P42858 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
G6PD P11413 1/20 0.33
KMT2A Q03164 1/20 0.33
NOTUM Q6P988 1/20 0.33

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
SCHEMBL17476686 0.73 KDM4E (0.48) ADORA2AADORA3ADORA2BADORA1TDO2
SCHEMBL17482179 0.72 ADORA2A (0.49) ADORA2AADORA3ADORA2BADORA1TDO2
SCHEMBL17482203 0.72 MAPT (0.34) ADORA2AADORA3ADORA2BADORA1LMNA
SCHEMBL17482197 0.70 MET (0.46) ADORA2AADORA3ADORA2BADORA1LMNA
SCHEMBL27992065 0.67 ADORA2A (0.47) ADORA2AADORA3ADORA2BADORA1TDO2
SCHEMBL17482200 0.67 MAPT (0.38) LMNAALDH1A1MEN1GAAMAPT
SCHEMBL26098451 0.65 KDM4E (0.41) ADORA2AADORA3ADORA2BADORA1TDO2
SCHEMBL17482181 0.65 KDM4E (0.50) ADORA2AADORA3ADORA2BADORA1TDO2
SCHEMBL28870957 0.65 HTT (0.62) ADORA2AADORA3ADORA2BADORA1LMNA
SCHEMBL28661523 0.65 TDO2 (0.40) ADORA2AADORA3ADORA2BADORA1TDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10174064-B2 Photoactive energetic materials TRIAD NATIONAL SECURITY, LLC (US) 2019-01-08 US disclosed
US-9902748-B2 Photoactive energetic materials LOS ALAMOS NATIONAL SECURITY, LLC (US) 2018-02-27 US disclosed
US-9902748-B2 Photoactive energetic materials LOS ALAMOS NATIONAL SECURITY, LLC (US) 2018-02-27 US disclosed
US-20160031767-A1 PHOTOACTIVE ENERGETIC MATERIALS TRIAD NATIONAL SECURITY, LLC 2016-02-04 US disclosed
US-20160031767-A1 PHOTOACTIVE ENERGETIC MATERIALS TRIAD NATIONAL SECURITY, LLC 2016-02-04 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 (2 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-10174064-B2 Photoactive energetic materials NOX5, TRPM5, MT-ND5 ADORA2A 565/4885ADORA3 654/4885ADORA2B 1000/4885
US-20160031767-A1 PHOTOACTIVE ENERGETIC MATERIALS NOX5, TRPM5, MT-ND5 ADORA2A 565/4885ADORA3 654/4885ADORA2B 1000/4885

“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.