SCHEMBL2170624

SCHEMBL2170624

CCCCCc1ccnc2nc3ccccc3n12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 5/20 0.51
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
TLR8 Q9NR97 3/20 0.43
CSNK1A1 P48729 1/20 0.42
CLK2 P49760 1/20 0.42
LIMK1 P53667 1/20 0.42
DYRK1A Q13627 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
MDM2 Q00987 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL11501075 0.72 TLR7 (0.48) TLR7KMT2AMEN1TLR8RAB9A
SCHEMBL22633462 0.71 CSNK1A1 (0.62) TLR7KMT2AMEN1CSNK1A1CLK2
SCHEMBL854288 0.69 ALDH1A1 (0.42) TLR7KMT2AL3MBTL1MDM2SMN1; SMN2
SCHEMBL2170258 0.68 TLR8 (0.47) TLR7KMT2AMEN1TLR8SMN1; SMN2
SCHEMBL17933567 0.67 MAPT (0.72) TLR7TLR8RAB9ANPC1SMN1; SMN2
SCHEMBL11355852 0.67 KDM4E (0.45) KMT2AMEN1LIMK1RAB9ANPC1
SCHEMBL14760445 0.67 KDM4E (0.72) TLR7KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL11395129 0.66 MAPT (0.75) TLR7TLR8RAB9ANPC1SMN1; SMN2
SCHEMBL6142135 0.66 MEN1 (0.66) KMT2AMEN1TLR8KDM4EMAPT
SCHEMBL2948522 0.66 TLR7 (0.53) TLR7TLR8SMN1; SMN2KDM4EMAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2550255-B1 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS LILLY CO ELI (US) 2016-04-27 EP disclosed
EP-2550255-A1 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS Siemens Medical Solutions USA, Inc. (US) 2013-01-30 EP disclosed
WO-2011119565-A1 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-09-29 WO disclosed
US-20110182812-A1 Imaging Agents for Detecting Neurological Disorders SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-07-28 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-20110182812-A1 Imaging Agents for Detecting Neurological Disorders MAPT, APP, PSEN1 TLR7 4767/4885KMT2A 4784/4885MEN1 335/4885

“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.