SCHEMBL18158066

SCHEMBL18158066

NC(=O)CNC(Cc1ccccn1)c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRA P18433 1/20 0.47
FDPS P14324 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
PARP10 Q53GL7 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPK10 P53779 1/20 0.37
HSD17B10 Q99714 1/20 0.37
DPP4 P27487 1/20 0.37

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
SCHEMBL18157982 0.87 PTPRA (0.51) PTPRAFDPSSMN1; SMN2GRIN2DGRIN3B
SCHEMBL18158002 0.86 GRIN2D (0.41) PTPRAFDPSSMN1; SMN2GRIN2DGRIN3B
SCHEMBL18158049 0.82 PTPRA (0.43) PTPRAFDPSSMN1; SMN2CYP1A2CYP2D6
SCHEMBL18158023 0.81 FDPS (0.40) PTPRAFDPSSMN1; SMN2GRIN2DGRIN3B
SCHEMBL18158021 0.80 LMNA (0.41) PTPRAFDPSSMN1; SMN2CYP1A2CYP2D6
SCHEMBL58388 0.78 HRH1 (0.46) PTPRAFDPSSMN1; SMN2GRIN2DGRIN3B
SCHEMBL18157958 0.78 FDPS (0.43) PTPRAFDPSSMN1; SMN2GRIN2DGRIN3B
SCHEMBL18158064 0.78 SMN1; SMN2 (0.45) PTPRASMN1; SMN2CYP1A2CYP2D6MAPT
SCHEMBL19214791 0.78 PTPRA (0.47) PTPRAFDPSSMN1; SMN2GRIN2DGRIN3B
SCHEMBL18157959 0.77 HRH3 (0.51) PTPRAFDPSSMN1; SMN2GRIN2DGRIN3B

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 PTPRA 2197/4885FDPS 2964/4885SMN1; SMN2 2133/4885

“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.