SCHEMBL19212948

SCHEMBL19212948

Cn1ccnc1CCn1ccnc1CCn1ccnc1CCN

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.39
TSHR P16473 2/20 0.37
FDPS P14324 1/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
LPO P22079 1/20 0.34
TLR8 Q9NR97 2/20 0.34
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MTOR P42345 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
TRPM5 Q9NZQ8 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KCNH2 Q12809 1/20 0.32

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
SCHEMBL659577 0.89
Hydrochloric Acid SCHEMBL23361037 0.87 FDPS (0.42) CNR2TSHRFDPSKMT2AMEN1
Hydrochloric Acid SCHEMBL28782075 0.87 FDPS (0.42) CNR2TSHRFDPSKMT2AMEN1
SCHEMBL31276947 0.82 FDPS (0.39) CNR2TSHRFDPSKMT2AMEN1
SCHEMBL8382367 0.79 KCNH2 (0.34) TSHRTLR8KCNH2
SCHEMBL1076109 0.78 FDPS (0.41) CNR2TSHRFDPSKMT2AMEN1
SCHEMBL28401638 0.78 HTR2C (0.36) TSHRKMT2ATLR8CYP2C9CYP2C19
SCHEMBL7154948 0.77 FDPS (0.48) CNR2TSHRFDPSKMT2AMEN1
Hydrochloric Acid SCHEMBL25338116 0.77 FDPS (0.40) CNR2TSHRFDPSKMT2AMEN1
Bromide SCHEMBL1029607 0.77 FDPS (0.40) CNR2TSHRFDPSKMT2AMEN1

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 1 patent. 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

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 CNR2 4401/4885TSHR 3457/4885FDPS 2964/4885

“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.