SCHEMBL17482181

SCHEMBL17482181

Oc1nnc(-n2cccn2)nn1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 3/20 0.50
LMNA P02545 3/20 0.50
MAPT P10636 2/20 0.50
MEN1 O00255 1/20 0.50
GAA P10253 1/20 0.50
G6PD P11413 1/20 0.50
KMT2A Q03164 1/20 0.50
ADORA2A P29274 11/20 0.41
HTT P42858 2/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
NOTUM Q6P988 1/20 0.39
MAPK1 P28482 3/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPC1 O15118 1/20 0.36
TDO2 P48775 1/20 0.35

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 0.89 KDM4E (0.48) KDM4EALDH1A1LMNAMAPTMEN1
SCHEMBL17482179 0.78 ADORA2A (0.49) KDM4EALDH1A1LMNAMAPTMEN1
SCHEMBL26098451 0.78 KDM4E (0.41) KDM4EALDH1A1LMNAMAPTMEN1
SCHEMBL28186628 0.74 ALDH1A1 (0.55) KDM4EALDH1A1LMNAMAPTMEN1
SCHEMBL28870957 0.74 HTT (0.62) KDM4EALDH1A1LMNAMAPTMEN1
SCHEMBL17476671 0.74 ADORA2A (0.41) KDM4EALDH1A1LMNAMAPTMEN1
SCHEMBL32810 0.72 KDM4E (0.46) KDM4EALDH1A1LMNAMAPTMEN1
SCHEMBL20756511 0.70 ALDH1A1 (0.56) KDM4EALDH1A1LMNAMAPTMEN1
SCHEMBL20626747 0.70 LMNA (0.41) KDM4EALDH1A1LMNAMAPTMEN1
SCHEMBL3404328 0.69 ALDH1A1 (0.46) KDM4EALDH1A1LMNAMAPTMEN1

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 KDM4E 3658/4885ALDH1A1 706/4885LMNA 707/4885
US-20160031767-A1 PHOTOACTIVE ENERGETIC MATERIALS NOX5, TRPM5, MT-ND5 KDM4E 3658/4885ALDH1A1 706/4885LMNA 707/4885

“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.