SCHEMBL16407138

SCHEMBL16407138

CN1CCN(c2nccc(NCc3cccc(Nc4ccnc5cc(Cl)ccc45)c3)n2)CC1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.57
RAD52 P43351 1/20 0.57
GFER P55789 1/20 0.57
ACHE P22303 8/20 0.56
NR4A2 P43354 1/20 0.55
PKM P14618 1/20 0.47
HRH4 Q9H3N8 2/20 0.47
HTR3A P46098 1/20 0.47
NTRK1 P04629 1/20 0.46
DHFR P00374 1/20 0.46
MAPKAPK2 P49137 1/20 0.45

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
SCHEMBL16407349 0.92 ACHE (0.54) APPRAD52GFERACHENR4A2
SCHEMBL16407047 0.92 APP (0.56) APPRAD52GFERACHENR4A2
SCHEMBL16407149 0.91 ACHE (0.53) APPRAD52GFERACHENR4A2
SCHEMBL16407134 0.91 APP (0.54) APPRAD52GFERACHENR4A2
SCHEMBL16407073 0.91 ACHE (0.53) APPRAD52GFERACHENR4A2
SCHEMBL16405611 0.91 RAD52 (0.65) APPRAD52GFERACHEPKM
SCHEMBL16407172 0.90 ACHE (0.56) APPRAD52GFERACHENR4A2
SCHEMBL16407048 0.86 CYP2D6 (0.59) APPRAD52GFERACHENR4A2
SCHEMBL16407345 0.84 APP (0.52) APPRAD52GFERACHENR4A2
SCHEMBL16407352 0.83 APP (0.51) APPRAD52GFERNR4A2PKM

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220008418-A1 Aminoquinoline Derivatives and Uses Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-01-13 US disclosed
US-11026943-B2 Aminoquinoline derivatives and uses thereof THE MCLEAN HOSPITAL CORPORATION (US) 2021-06-08 US disclosed
US-20170209441-A1 AMINOQUINOLINE DERIVATIVES AND USES THEREOF UNIVERSITY OF DELHI (IN) 2017-07-27 US disclosed
US-9567316-B2 Aminoquinoline derivatives and uses thereof THE MCLEAN HOSPITAL CORPORATION (US) 2017-02-14 US disclosed
US-20150023930-A1 AMINOQUINOLINE DERIVATIVES AND USES THEREOF THE MCLEAN HOSPITAL CORPORATION (US) 2015-01-22 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 (4 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-20150023930-A1 AMINOQUINOLINE DERIVATIVES AND USES THEREOF LRRK2, NLN, AADAT APP 219/4885RAD52 759/4885GFER 2601/4885
US-20220008418-A1 Aminoquinoline Derivatives and Uses Thereof LRRK2, NLN, AADAT APP 219/4885RAD52 759/4885GFER 2601/4885
US-11026943-B2 Aminoquinoline derivatives and uses thereof LRRK2, NLRP3, AADAT APP 256/4885RAD52 961/4885GFER 2821/4885
US-20170209441-A1 AMINOQUINOLINE DERIVATIVES AND USES THEREOF LRRK2, NLRP3, AADAT APP 256/4885RAD52 961/4885GFER 2821/4885

“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.