SCHEMBL16407352

SCHEMBL16407352

Cc1cc(NCc2cccc(Nc3ccnc4cc(Cl)ccc34)c2)nc(N2CCCCC2)n1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APP P05067 7/20 0.51
NR4A2 P43354 1/20 0.51
PKM P14618 2/20 0.46
LMNA P02545 1/20 0.45
DHFR P00374 1/20 0.45
HRH3 Q9Y5N1 3/20 0.45
BACE1 P56817 1/20 0.45
RAD52 P43351 1/20 0.44
GFER P55789 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C8 P10632 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HPSE Q9Y251 1/20 0.43

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
SCHEMBL16407345 0.99 APP (0.52) APPNR4A2PKMLMNADHFR
SCHEMBL16407134 0.93 APP (0.54) APPNR4A2PKMLMNADHFR
SCHEMBL16407161 0.92 LMNA (0.57) APPNR4A2PKMLMNADHFR
SCHEMBL16407072 0.91 RAD52 (0.51) APPNR4A2PKMLMNADHFR
SCHEMBL16407051 0.91 APP (0.54) APPNR4A2PKMLMNADHFR
SCHEMBL16405617 0.91 HRH3 (0.51) APPPKMDHFRHRH3BACE1
SCHEMBL16407149 0.90 ACHE (0.53) APPNR4A2PKMHRH3BACE1
SCHEMBL16405599 0.90 RAD52 (0.52) APPPKMDHFRHRH3BACE1
SCHEMBL16407349 0.89 ACHE (0.54) APPNR4A2PKMHRH3BACE1
SCHEMBL16407135 0.86 CYP2D6 (0.57) APPNR4A2DHFRHRH3BACE1

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 219/4885NR4A2 876/4885PKM 2102/4885
US-20220008418-A1 Aminoquinoline Derivatives and Uses Thereof LRRK2, NLN, AADAT APP 219/4885NR4A2 876/4885PKM 2102/4885
US-11026943-B2 Aminoquinoline derivatives and uses thereof LRRK2, NLRP3, AADAT APP 256/4885NR4A2 1253/4885PKM 2112/4885
US-20170209441-A1 AMINOQUINOLINE DERIVATIVES AND USES THEREOF LRRK2, NLRP3, AADAT APP 256/4885NR4A2 1253/4885PKM 2112/4885

“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.