SCHEMBL16407286

SCHEMBL16407286

Clc1ccc2c(NC(c3ccccc3)c3ccc(CN4CCN(c5ccnc(Cl)n5)CC4)cc3)ccnc2c1

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.43
APP P05067 1/20 0.42
BACE1 P56817 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HRH3 Q9Y5N1 2/20 0.41
NR4A2 P43354 1/20 0.41

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
SCHEMBL18500853 0.95 APP (0.41) APPBACE1MEN1KMT2AHRH3
SCHEMBL16405613 0.91 PKM (0.42) PKMAPPBACE1MEN1KMT2A
SCHEMBL16405630 0.90 PKM (0.41) PKMAPPBACE1MEN1KMT2A
SCHEMBL16405615 0.88 RAD52 (0.43) PKMAPPMEN1KMT2A
SCHEMBL16407044 0.88 ACHE (0.47) PKMAPPMEN1KMT2A
SCHEMBL18499172 0.88 DRD2 (0.42) PKMAPPMEN1KMT2A
SCHEMBL18500786 0.87 ACHE (0.42) PKMAPPMEN1KMT2A
SCHEMBL18499169 0.86 MEN1 (0.40) APPBACE1MEN1KMT2AHRH3
SCHEMBL16405606 0.86 HRH3 (0.45) APPBACE1HRH3NR4A2
SCHEMBL18499175 0.86 HRH3 (0.44) APPBACE1HRH3NR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20150023930-A1 AMINOQUINOLINE DERIVATIVES AND USES THEREOF LRRK2, NLN, AADAT PKM 2102/4885APP 219/4885BACE1 614/4885

“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.