SCHEMBL2163436

SCHEMBL2163436

NCc1ccc(-c2ccn3c(n2)nc2ccccc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
RAD51 Q06609 2/20 0.40
ADORA2A P29274 10/20 0.39
AKT1 P31749 1/20 0.39
AKT2 P31751 1/20 0.39
ADORA1 P30542 2/20 0.39
TAAR1 Q96RJ0 1/20 0.39
PKM P14618 1/20 0.38
PTPN1 P18031 1/20 0.38
FLT3 P36888 1/20 0.36
BMX P51813 1/20 0.36

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
SCHEMBL31307038 0.86 RAB9A (0.44) KDM4ENPC1ALDH1A1TP53HPGD
SCHEMBL484156 0.84 RAD51 (0.56) KDM4ENPC1ALDH1A1TP53HPGD
SCHEMBL29892431 0.84 KDM4E (0.49) KDM4EALDH1A1TP53HPGDHSD17B10
SCHEMBL31307042 0.82 DHODH (0.46)
SCHEMBL2163042 0.81 ADORA2A (0.53) KDM4ENPC1ALDH1A1HPGDHSD17B10
SCHEMBL12323630 0.81 ALDH1A1 (0.43) KDM4ENPC1ALDH1A1HPGDSMN1; SMN2
Bromide SCHEMBL2164327 0.80 ADORA2A (0.52) KDM4ENPC1ALDH1A1HPGDHSD17B10
SCHEMBL2162673 0.78 RAD51 (0.46) KDM4ENPC1ALDH1A1TP53HPGD
SCHEMBL2163815 0.78 ADORA2A (0.56) KDM4EALDH1A1RAD51ADORA2AAKT1
SCHEMBL12402853 0.78 RAD51 (0.59) KDM4ENPC1ALDH1A1TP53HPGD

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 KDM4E 4835/4885NPC1 143/4885ALDH1A1 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.