SCHEMBL2164626

SCHEMBL2164626

COc1ccc2nc3nc(-c4ccc(N)cc4)ccn3c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAD51 Q06609 1/20 0.48
▸ ALDH1A1 P00352 4/20 0.45
▸ APP P05067 3/20 0.45
▸ HPGD P15428 3/20 0.45
▸ NPC1 O15118 3/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ POLB P06746 2/20 0.45
▸ TP53 P04637 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ NPM1 P06748 1/20 0.44
▸ ALK Q9UM73 1/20 0.44
▸ TLR9 Q9NR96 1/20 0.41
▸ TLR7 Q9NYK1 1/20 0.41
▸ ADORA2A P29274 1/20 0.41
▸ HTR6 P50406 1/20 0.40
▸ FGFR1 P11362 1/20 0.40
▸ DYRK1A Q13627 1/20 0.39

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
SCHEMBL2162890 0.93 TLR9 (0.47) RAD51ALDH1A1APPHPGDNPC1
SCHEMBL2163077 0.90 RAD51 (0.60) RAD51ALDH1A1APPHPGDNPC1
SCHEMBL2162700 0.85 RAD51 (0.50) RAD51ALDH1A1APPHPGDNPC1
SCHEMBL2162641 0.85 RAD51 (0.51) RAD51ALDH1A1HPGDNPC1SMN1; SMN2
SCHEMBL12403839 0.83 MAPT (0.42) RAD51ALDH1A1APPHPGDNPC1
SCHEMBL12402961 0.82 NPM1 (0.41) ALDH1A1HPGDNPC1TP53MEN1
SCHEMBL12402969 0.80 RAD51 (0.47) RAD51ALDH1A1APPNPC1SMN1; SMN2
SCHEMBL2163599 0.80 APP (0.39) ALDH1A1APPTP53MEN1KMT2A
SCHEMBL2162709 0.79 ADORA2A (0.56) ALDH1A1HPGDNPC1SMN1; SMN2POLB
SCHEMBL2164542 0.78 MAPT (0.55) RAD51APPSMN1; SMN2MEN1KMT2A

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 7 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
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
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

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 1902/4885ALDH1A1 3926/4885APP 2/4885

“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.

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