SCHEMBL4367308

SCHEMBL4367308

CCCCCC1CNC(CN)=N1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 10/20 0.39
NOS2 P35228 10/20 0.39
NOS3 P29474 3/20 0.38
SCN2A Q99250 2/20 0.36
SPHK1 Q9NYA1 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
SCHEMBL7698170 0.87 NOS1 (0.36) NOS1NOS2NOS3SCN2A
SCHEMBL11138004 0.86 SCN2A (0.36) NOS1NOS2NOS3SCN2ASPHK1
SCHEMBL4665788 0.86 SCN2A (0.36) NOS1NOS2NOS3SCN2ASPHK1
SCHEMBL20954138 0.86 SCN2A (0.36) NOS1NOS2NOS3SCN2ASPHK1
SCHEMBL20954129 0.86 SCN2A (0.36) NOS1NOS2NOS3SCN2ASPHK1
SCHEMBL8022095 0.83 GBA1 (0.36) SCN2ASPHK1
SCHEMBL8031333 0.83 GBA1 (0.36) SCN2ASPHK1
SCHEMBL8022112 0.83 GBA1 (0.36) SCN2ASPHK1
SCHEMBL8035667 0.83 GBA1 (0.36) SCN2ASPHK1
SCHEMBL8031468 0.83 GBA1 (0.36) SCN2ASPHK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090209422-A1 Insecticidal Substituted Aminoalkyl Heterocyclic and Heteroaryl Derivatives BAYER CROPSCIENCE AG (DE) 2009-08-20 US disclosed
EP-1879455-A1 INSECTICIDAL SUBSTITUTED AMINOALKYL HETEROCYCLIC AND HETEROARYL DERIVATIVES Bayer CropScience AG (DE) 2008-01-23 EP disclosed
WO-2006119411-A1 INSECTICIDAL SUBSTITUTED AMINOALKYL HETEROCYCLIC AND HETEROARYL DERIVATIVES BAYER CROPSCIENCE AG (DE) 2006-11-09 WO 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-20090209422-A1 Insecticidal Substituted Aminoalkyl Heterocyclic and Heteroaryl Derivatives DDT, AADAC, DDC NOS1 3607/4885NOS2 3543/4885NOS3 2041/4885

“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.