SCHEMBL2163053

SCHEMBL2163053

Clc1ccn2c(n1)nc1ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.44
PTPN2 P17706 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 6/20 0.42
ALDH1A1 P00352 5/20 0.42
HPGD P15428 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
LMNA P02545 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
RAD51 Q06609 3/20 0.39
MAPT P10636 1/20 0.39
POLB P06746 3/20 0.38
CSNK1A1 P48729 1/20 0.38
CLK2 P49760 1/20 0.38
LIMK1 P53667 1/20 0.38
DYRK1A Q13627 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38

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
SCHEMBL2163722 0.78 PTPN1 (0.44) PTPN1PTPN2SMN1; SMN2KDM4EALDH1A1
SCHEMBL19788381 0.78 PTPN1 (0.44) PTPN1PTPN2SMN1; SMN2KDM4EALDH1A1
SCHEMBL18056293 0.78 PTPN1 (0.53) PTPN1PTPN2SMN1; SMN2KDM4EALDH1A1
SCHEMBL22633448 0.78 RAD51 (0.45) PTPN1PTPN2SMN1; SMN2KDM4EALDH1A1
SCHEMBL2163511 0.78 PTPN1 (0.44) PTPN1PTPN2SMN1; SMN2KDM4EALDH1A1
SCHEMBL29660223 0.77 PTPN1 (0.41) PTPN1PTPN2SMN1; SMN2KDM4EALDH1A1
SCHEMBL2162804 0.77 PTPN1 (0.41) PTPN1PTPN2SMN1; SMN2KDM4EALDH1A1
SCHEMBL31307044 0.77 LMNA (0.48) PTPN1PTPN2SMN1; SMN2KDM4EALDH1A1
SCHEMBL12403042 0.75 PTPN1 (0.42) PTPN1PTPN2SMN1; SMN2KDM4EALDH1A1
SCHEMBL29892431 0.75 KDM4E (0.49) PTPN1PTPN2KDM4EALDH1A1HPGD

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 PTPN1 4822/4885PTPN2 4809/4885SMN1; SMN2 26/4885

“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.