SCHEMBL18158045

SCHEMBL18158045

Cn1ccnc1CNC(Cc1ccccn1)c1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.44
ATAD2 Q6PL18 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ADRA2C P18825 1/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
FDPS P14324 1/20 0.34
PTPRA P18433 1/20 0.34
MAPT P10636 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL20032159 0.81 OPRK1 (0.44) OPRK1ATAD2MEN1KMT2AADRA2C
SCHEMBL18158022 0.78 ATAD2 (0.39) OPRK1ATAD2MEN1KMT2AMAPT
SCHEMBL13661138 0.76 CHRM2 (0.49) OPRK1ATAD2MEN1KMT2AHRH3
SCHEMBL18157994 0.74 CXCR4 (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL20032162 0.73 ATAD2 (0.40) OPRK1ATAD2MEN1KMT2AMAPT
SCHEMBL18158081 0.73 GRIN2D (0.37) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18157959 0.73 HRH3 (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13661162 0.72 CYP1A2 (0.52) MEN1KMT2AHRH3LMNATDP1
SCHEMBL18158043 0.72 MAOA (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18157938 0.72 FDPS (0.38) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170227690-A1 NEAR INFRARED RAY ABSORBENT COMPOSITION, NEAR INFRARED RAY CUT FILTER, SOLID IMAGE PICKUP ELEMENT, AND CAMERA MODULE FUJIFILM CORPORATION (JP) 2017-08-10 US disclosed
US-20160304730-A1 NEAR INFRARED RADIATION-ABSORBING COMPOSITION, NEAR INFRARED RADIATION CUT-OFF FILTER AND PRODUCTION METHOD THEREFOR, AND CAMERA MODULE AND PRODUCTION METHOD THEREFOR FUJIFILM CORPORATION (JP) 2016-10-20 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-20170227690-A1 NEAR INFRARED RAY ABSORBENT COMPOSITION, NEAR INFRARED RAY CUT FILTER, SOLID IMAGE PICKUP ELEMENT, AND CAMERA MODULE C9, SET, CRY1 OPRK1 2869/4885ATAD2 1008/4885MEN1 22/4885

“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.