SCHEMBL18158022

SCHEMBL18158022

Cn1ccnc1CC(NCc1ccccn1)c1nccn1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATAD2 Q6PL18 1/20 0.39
KDM4E B2RXH2 2/20 0.39
OPRK1 P41145 1/20 0.39
PIP4K2C Q8TBX8 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP1A2 P05177 2/20 0.36
MAPT P10636 2/20 0.36
TSHR P16473 1/20 0.36
CHRM2 P08172 1/20 0.35
NPC1 O15118 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 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
SCHEMBL4962518 0.81 KDM4E (0.44) ATAD2KDM4EPIP4K2CMAOAMAOB
SCHEMBL20032162 0.81 ATAD2 (0.40) ATAD2KDM4EOPRK1PIP4K2CMEN1
SCHEMBL18158045 0.78 OPRK1 (0.44) ATAD2OPRK1PIP4K2CMEN1KMT2A
SCHEMBL13661138 0.76 CHRM2 (0.49) ATAD2KDM4EOPRK1MEN1KMT2A
SCHEMBL20032159 0.73 OPRK1 (0.44) ATAD2KDM4EOPRK1MEN1KMT2A
SCHEMBL20661520 0.73 CYP1A2 (0.45) OPRK1KMT2ASMN1; SMN2ALDH1A1CYP2D6
SCHEMBL18158058 0.73 SMN1; SMN2 (0.39) KDM4EOPRK1MEN1KMT2ASMN1; SMN2
SCHEMBL13661162 0.69 CYP1A2 (0.52) KDM4EMEN1KMT2AALDH1A1CYP2D6
SCHEMBL18160751 0.68 MEN1 (0.45) ATAD2KDM4EMEN1KMT2AMAOA
SCHEMBL1627995 0.67 MAPT (0.54) MEN1KMT2ASMN1; SMN2MAPTTSHR

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 ATAD2 1008/4885KDM4E 2067/4885OPRK1 2869/4885

“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.