SCHEMBL2163058

SCHEMBL2163058

Nc1cccc(-c2ccn3c(n2)nc2ccccc23)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD51 Q06609 2/20 0.59
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
ALDH1A1 P00352 5/20 0.46
POLB P06746 1/20 0.46
GFER P55789 1/20 0.46
KDM4E B2RXH2 4/20 0.44
ADORA2A P29274 4/20 0.44
MEN1 O00255 3/20 0.44
MAPT P10636 3/20 0.44
KMT2A Q03164 3/20 0.44
HPGD P15428 3/20 0.44
LMNA P02545 3/20 0.44
ADORA1 P30542 3/20 0.44
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
GLA P06280 1/20 0.41
TP53 P04637 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL484156 0.84 RAD51 (0.56) RAD51NPC1RAB9AALDH1A1KDM4E
SCHEMBL29892431 0.84 KDM4E (0.49) RAD51RAB9AALDH1A1KDM4EADORA2A
SCHEMBL12403557 0.83 LMNA (0.43) RAD51RAB9APOLBADORA2ALMNA
SCHEMBL31307046 0.83 CSNK2A2 (0.41) RAD51NPC1RAB9AALDH1A1POLB
SCHEMBL2163292 0.80 RAD51 (0.40) RAD51ADORA2AADORA1
SCHEMBL12403623 0.80 ADORA2A (0.41) RAD51ADORA2AADORA1HSD17B10
SCHEMBL2163735 0.80 ADORA2A (0.59) NPC1RAB9AALDH1A1KDM4EADORA2A
SCHEMBL2162664 0.80 RAD51 (0.40) RAD51ADORA2AADORA1
SCHEMBL12402976 0.80 KDM4E (0.44) RAD51NPC1RAB9AALDH1A1KDM4E
SCHEMBL31307043 0.80 ALDH1A1 (0.55) ALDH1A1KDM4EADORA2AMAPTHPGD

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 RAD51 1902/4885NPC1 143/4885RAB9A 1434/4885

“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.