SCHEMBL2163357

SCHEMBL2163357

CNc1cc(C)c(C#N)c2nc3ccccc3n12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 1.00
KDM4E B2RXH2 10/20 0.76
ALDH1A1 P00352 9/20 0.76
GAA P10253 8/20 0.76
POLB P06746 4/20 0.76
HPGD P15428 6/20 0.72
AURKA O14965 1/20 0.72
PIM1 P11309 1/20 0.72
MAPKAPK2 P49137 1/20 0.72
PLK1 P53350 1/20 0.72
CSNK2A1 P68400 1/20 0.72
DYRK1A Q13627 1/20 0.72
AURKB Q96GD4 1/20 0.72
PLK3 Q9H4B4 1/20 0.72
MAPT P10636 2/20 0.69
GLA P06280 4/20 0.68
XBP1 P17861 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
NPSR1 Q6W5P4 1/20 0.68
LMNA P02545 2/20 0.68

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
SCHEMBL29721630 0.86 KLK7 (0.76) KLK7KDM4EALDH1A1GAAPOLB
SCHEMBL29683890 0.86 MAPT (0.83) KLK7KDM4EALDH1A1GAAPOLB
SCHEMBL13019377 0.83 KDM4E (0.75) KLK7KDM4EALDH1A1GAAPOLB
SCHEMBL4567509 0.82 KDM4E (0.73) KLK7KDM4EALDH1A1GAAPOLB
SCHEMBL14478944 0.82 MAPT (1.00) KLK7KDM4EALDH1A1GAAPOLB
SCHEMBL14478951 0.82 MAPT (0.80) KLK7KDM4EALDH1A1GAAPOLB
SCHEMBL12468226 0.81 KDM4E (0.76) KLK7KDM4EALDH1A1GAAPOLB
SCHEMBL2162680 0.81 KDM4E (1.00) KLK7KDM4EALDH1A1GAAPOLB
SCHEMBL2163413 0.81 KDM4E (0.71) KLK7KDM4EALDH1A1GAAPOLB
SCHEMBL14478943 0.81 GAA (0.71) KLK7KDM4EALDH1A1GAAPOLB

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 6 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-B1 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS LILLY CO ELI (US) 2016-04-27 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
US-20110182812-A1 Imaging Agents for Detecting Neurological Disorders SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-07-28 US 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 KLK7 2532/4885KDM4E 4835/4885ALDH1A1 3926/4885

“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.