SCHEMBL17482201

SCHEMBL17482201

Nc1nnc2nnc(-n3cncn3)nn12

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.33
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP2A6 P11509 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL17484749 0.72 LMNA (0.38) PDE10AKDM4EALDH1A1SMN1; SMN2CYP2A6
SCHEMBL17482196 0.71 MET (0.47) KDM4EALDH1A1SMN1; SMN2CYP2A6
SCHEMBL17482200 0.67 MAPT (0.38) ALDH1A1LMNA
SCHEMBL17482198 0.62 SMN1; SMN2 (0.49) KDM4EALDH1A1SMN1; SMN2TSHRMAPK1
SCHEMBL19902423 0.61 KDM4E (0.35) PDE10AKDM4EALDH1A1SMN1; SMN2CYP2A6
SCHEMBL21640528 0.60 PDE10A (0.38) PDE10AKDM4EALDH1A1SMN1; SMN2CYP2A6
SCHEMBL31556855 0.57 KDM4E (0.45) KDM4EALDH1A1SMN1; SMN2CYP2A6LMNA
SCHEMBL21623963 0.57 KDM4E (0.45) KDM4EALDH1A1SMN1; SMN2CYP2A6LMNA
SCHEMBL2358748 0.57 KDM4E (0.46) PDE10AKDM4EALDH1A1SMN1; SMN2CYP2A6
SCHEMBL27905069 0.56 SMN1; SMN2 (0.72) KDM4EALDH1A1SMN1; SMN2CYP2A6

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 PDE10A 845/4885KDM4E 3658/4885ALDH1A1 706/4885
US-20160031767-A1 PHOTOACTIVE ENERGETIC MATERIALS NOX5, TRPM5, MT-ND5 PDE10A 845/4885KDM4E 3658/4885ALDH1A1 706/4885

“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.