SCHEMBL18157968

SCHEMBL18157968

Oc1ccccc1NC(Cc1ccccn1)c1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.41
PTPRA P18433 1/20 0.41
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.36
CXCR1 P25024 1/20 0.36
CXCR2 P25025 1/20 0.36
KDM4E B2RXH2 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL18158096 0.79 FERMT2 (0.42) FDPSPTPRAGRIN2DGRIN3BGRIN1
SCHEMBL19214720 0.77 IDO1 (0.43) FDPSPTPRAGRIN2DGRIN3BGRIN1
SCHEMBL18157958 0.77 FDPS (0.43) FDPSPTPRAGRIN2DGRIN3BGRIN1
SCHEMBL18157970 0.76 CYP3A4 (0.42) FDPSSMN1; SMN2RAB9AKMT2AALDH1A1
SCHEMBL18157959 0.75 HRH3 (0.51) FDPSPTPRAGRIN2DGRIN3BGRIN1
SCHEMBL58388 0.74 HRH1 (0.46) FDPSPTPRAGRIN2DGRIN3BGRIN1
SCHEMBL18158082 0.72 GRIN2D (0.38) FDPSPTPRAGRIN2DGRIN3BGRIN1
SCHEMBL18157982 0.71 PTPRA (0.51) FDPSPTPRAGRIN2DGRIN3BGRIN1
SCHEMBL18158028 0.71 PTPRA (0.51) FDPSPTPRAGRIN2DGRIN3BGRIN1
SCHEMBL18157956 0.70 CHRM2 (0.47) SMN1; SMN2KDM4ERAB9AHRH3ALDH1A1

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 FDPS 2964/4885PTPRA 2197/4885GRIN2D 3742/4885

“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.