SCHEMBL17829809

SCHEMBL17829809

CN(C)CCCNc1nc(-c2cn(Cc3ccccc3)c3c(Cl)cccc23)nc2c(-c3ccncc3)cccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
MAPK1 P28482 4/20 0.42
ALDH1A1 P00352 2/20 0.42
RAD52 P43351 3/20 0.41
KMT2A Q03164 2/20 0.40
RXFP1 Q9HBX9 1/20 0.39
TOP2A P11388 1/20 0.38
KDM4E B2RXH2 1/20 0.37
FLT3 P36888 3/20 0.37
MEN1 O00255 1/20 0.37
TERT O14746 3/20 0.36
KCNH2 Q12809 1/20 0.36
DYRK1A Q13627 1/20 0.36
MAT2A P31153 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
CLK4 Q9HAZ1 2/20 0.36
USP2 O75604 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL17833196 0.90 MAPK1 (0.38) MAPK1ALDH1A1KMT2AKDM4EMEN1
SCHEMBL17829796 0.88 POLB (0.45) POLBMAPK1ALDH1A1RAD52KMT2A
SCHEMBL17829569 0.88 POLB (0.45) POLBMAPK1ALDH1A1RAD52KMT2A
SCHEMBL17829805 0.87 POLB (0.44) POLBMAPK1ALDH1A1RAD52KMT2A
SCHEMBL17829806 0.86 POLB (0.57) POLBMAPK1ALDH1A1RAD52KMT2A
SCHEMBL17829829 0.82 POLB (0.41) POLBMAPK1ALDH1A1RAD52KMT2A
SCHEMBL17829838 0.81 POLB (0.55) POLBMAPK1ALDH1A1RAD52KMT2A
SCHEMBL17829906 0.81 POLB (0.43) POLBMAPK1ALDH1A1RAD52KMT2A
SCHEMBL17829816 0.80 CCR4 (0.44) FLT3
SCHEMBL17833195 0.80 CYP1A2 (0.39) POLBMAPK1ALDH1A1KMT2AMEN1

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-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS (US) 2016-06-16 US disclosed
US-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS (US) 2016-06-16 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-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS FOS, FOSB, YAP1 POLB 1188/4885MAPK1 192/4885ALDH1A1 4840/4885

“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.