SCHEMBL2164515

SCHEMBL2164515

COc1ccc2nc3cc(-c4ccc(N5CCC(F)CC5)nc4)ccn3c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.42
ALK Q9UM73 2/20 0.42
NPM1 P06748 1/20 0.42
ACVR1 Q04771 4/20 0.41
SCD O00767 1/20 0.40
KDR P35968 2/20 0.39
FGFR1 P11362 1/20 0.39
FGFR2 P21802 1/20 0.39
FGFR3 P22607 1/20 0.39
FLT3 P36888 2/20 0.39
HRH3 Q9Y5N1 1/20 0.39
SSTR2 P30874 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
ERN1 O75460 1/20 0.36
ADORA2A P29274 1/20 0.35
KCNH2 Q12809 1/20 0.35
MCHR1 Q99705 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35

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
SCHEMBL22972835 0.80 TLR9 (0.42) ALKNPM1PIK3CDPIK3CAPIK3CB
SCHEMBL2163926 0.80 ALK (0.49) ALKNPM1KDRFLT3
SCHEMBL2162822 0.80 TLR9 (0.42) ALKNPM1PIK3CDPIK3CAPIK3CB
SCHEMBL2163022 0.75 ALK (0.46) ALKNPM1KDRFLT3
SCHEMBL2163296 0.74 ALK (0.60) ALKNPM1ACVR1
SCHEMBL2162634 0.73 NPM1 (0.47) ALKNPM1FLT3ERN1
SCHEMBL2163132 0.73 ALK (0.47) ALKNPM1FLT3
SCHEMBL2163015 0.72 ALK (0.46) ALKNPM1FLT3ADORA2A
SCHEMBL2163138 0.71 KDM4E (0.47) ALKNPM1
SCHEMBL12323631 0.71 TLR9 (0.41) ALKNPM1PIK3CDPIK3CAPIK3CB

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 DGAT1 4398/4885ALK 4738/4885NPM1 1761/4885

“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.