SCHEMBL2162679

SCHEMBL2162679

COc1cc(-c2ccn3c(n2)nc2ccccc23)ccc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 4/20 0.45
BMX P51813 1/20 0.45
ALDH1A1 P00352 4/20 0.44
HSD17B10 Q99714 3/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 6/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ADORA2A P29274 4/20 0.42
ADORA1 P30542 2/20 0.42
TP53 P04637 2/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
GAA P10253 2/20 0.40
RECQL P46063 1/20 0.39
ACACA Q13085 1/20 0.38
MEN1 O00255 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
SCHEMBL2163811 0.83 ALDH1A1 (0.52) FLT3BMXALDH1A1HSD17B10KDM4E
SCHEMBL2162771 0.83 RAD51 (0.41) FLT3BMXALDH1A1HSD17B10KDM4E
SCHEMBL12403623 0.81 ADORA2A (0.41) HSD17B10CYP3A4ADORA2AADORA1RAD51
SCHEMBL12402976 0.81 KDM4E (0.44) FLT3ALDH1A1HSD17B10KDM4ENPC1
SCHEMBL2162664 0.81 RAD51 (0.40) ADORA2AADORA1RAD51
Bromide SCHEMBL2163717 0.81 ADORA2A (0.41) HSD17B10CYP3A4ADORA2AADORA1RAD51
SCHEMBL2162709 0.80 ADORA2A (0.56) FLT3ALDH1A1HSD17B10TSHRKDM4E
SCHEMBL2163292 0.79 RAD51 (0.40) ADORA2AADORA1RAD51
SCHEMBL2163735 0.79 ADORA2A (0.59) FLT3ALDH1A1HSD17B10CYP3A4TSHR
SCHEMBL31307040 0.79 ADORA2A (0.46) FLT3ALDH1A1CYP3A4TDP1KDM4E

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-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
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 FLT3 3289/4885BMX 1662/4885ALDH1A1 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.