SCHEMBL19902460

SCHEMBL19902460

O=NCC(CN=O)(CN=O)Nc1nnc(-n2cncn2)nn1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 6/20 0.36
PDE4B Q07343 1/20 0.36
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PDE10A Q9Y233 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL20626724 0.77 ADORA2A (0.31) KDM4EALDH1A1
SCHEMBL19902454 0.76 KDM4E (0.37) PDE4APDE4BKDM4EALDH1A1
SCHEMBL19902559 0.74
SCHEMBL17484749 0.64 LMNA (0.38) PDE4APDE4BKDM4EALDH1A1SMN1; SMN2
SCHEMBL19902423 0.57 KDM4E (0.35) PDE4AKDM4EALDH1A1SMN1; SMN2PDE10A
SCHEMBL17482201 0.56 PDE10A (0.33) KDM4EALDH1A1SMN1; SMN2PDE10A
SCHEMBL20574990 0.56 KDM4E (0.58) PDE4APDE4BKDM4EALDH1A1SMN1; SMN2
SCHEMBL17484748 0.56 FBP1 (0.37) KDM4EALDH1A1SMN1; SMN2
SCHEMBL17482196 0.54 MET (0.47) KDM4EALDH1A1SMN1; SMN2
SCHEMBL21623963 0.54 KDM4E (0.45) KDM4EALDH1A1SMN1; SMN2CYP1A2CYP2D6

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-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

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-10174064-B2 Photoactive energetic materials NOX5, TRPM5, MT-ND5 PDE4A 1157/4885PDE4B 1498/4885KDM4E 3658/4885

“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.