SCHEMBL4098509

SCHEMBL4098509

CNc1ccnc(N2CCCC2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 4/20 0.60
GRIN3B O60391 4/20 0.60
GRIN1 Q05586 4/20 0.60
GRIN2A Q12879 4/20 0.60
GRIN2B Q13224 4/20 0.60
GRIN2C Q14957 4/20 0.60
GRIN3A Q8TCU5 4/20 0.60
CHRM1 P11229 2/20 0.60
ADRA1D P25100 2/20 0.60
ADRA1A P35348 2/20 0.60
ADRA1B P35368 2/20 0.60
HRH4 Q9H3N8 2/20 0.51
NUDT1 P36639 2/20 0.42
LRRK2 Q5S007 1/20 0.39
CXCR4 P61073 1/20 0.39
KARS1 Q15046 1/20 0.39
MAOB P27338 1/20 0.39
HTR6 P50406 1/20 0.39
PROKR1 Q8TCW9 1/20 0.39
PAK4 O96013 1/20 0.39

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
SCHEMBL28531378 0.98 GRIN2D (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9989365 0.86 GRIN2D (0.61) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13294194 0.85 GRIN2D (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4107242 0.85 GRIN2D (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4176047 0.82 GRIN2D (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4177092 0.82 ADRA1D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL4174448 0.81 GRIN2D (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL4172845 0.81 ADRA1D (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL23585202 0.78 GRIN2D (0.81) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31415288 0.76 GRIN2D (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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
WO-2023239906-A2 SIALIC ACID DERIVATIVES AND METHODS OF USING SAME EISAI R&D MANAGEMENT CO., LTD. (JP) 2023-12-14 WO disclosed
EP-2344475-B1 QUINAZOLINONE, QUINOLONE AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2014-07-30 EP disclosed
US-8247430-B2 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2012-08-21 US disclosed
WO-2012038081-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-03-29 WO disclosed
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2009-06-04 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 (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-20090143355-A1 Substituted aryl-amine derivatives and methods of use FLT1, FLT4, NAT1 GRIN2D 4480/4885GRIN3B 4248/4885GRIN1 3937/4885

“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.