SCHEMBL16405607

SCHEMBL16405607

Cc1cc(N2CCN(Cc3ccc(C(Nc4ccnc5cc(Cl)ccc45)c4ccc(Cl)cc4)cc3)CC2)nc(N2CCOCC2)n1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.42
KMT2A Q03164 3/20 0.42
NPSR1 Q6W5P4 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
DHFR P00374 1/20 0.41
FLT3 P36888 1/20 0.39
HPSE Q9Y251 1/20 0.38
NR4A2 P43354 1/20 0.38
RAD52 P43351 1/20 0.38
GFER P55789 1/20 0.38
MEN1 O00255 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL18499171 0.97 APP (0.42) APPKMT2ANPSR1HRH4DHFR
SCHEMBL16405620 0.92 DHFR (0.48) APPKMT2ANPSR1HRH4DHFR
SCHEMBL16405631 0.92 CASP1 (0.43) APPDHFRNR4A2
SCHEMBL16405601 0.92 MEN1 (0.45) APPKMT2ADHFRNR4A2MEN1
SCHEMBL16405621 0.92 DHFR (0.43) APPKMT2ADHFRRAD52GFER
SCHEMBL16407192 0.91 APP (0.45) APPKMT2AHPSENR4A2RAD52
SCHEMBL16405600 0.90 CASP1 (0.43) APPDHFRNR4A2CYP3A4CYP2C8
SCHEMBL18500827 0.89 APP (0.43) APPKMT2AFLT3HPSENR4A2
SCHEMBL18499173 0.89 MEN1 (0.44) APPKMT2ADHFRNR4A2MEN1
SCHEMBL16405614 0.87 APP (0.46) APPKMT2AHPSENR4A2RAD52

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 2 patents. 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
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 APP 219/4885KMT2A 1231/4885NPSR1 692/4885

“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.