SCHEMBL8024746

SCHEMBL8024746

CN1CCCN(Oc2ccc(CN(C)Cc3ccc(COc4ncc(-c5cc(Cl)c(O)c(Cl)c5)nn4)cc3)cc2)CC1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MELK Q14680 4/20 0.33
GAA P10253 1/20 0.33
CMKLR1 Q99788 2/20 0.32
KAT8 Q9H7Z6 4/20 0.31
CHKA P35790 2/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
RAB9A P51151 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LSS P48449 2/20 0.30
KAT6A Q92794 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
USP2 O75604 1/20 0.30
HPGD P15428 1/20 0.30
PDK1 Q15118 1/20 0.30

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
SCHEMBL3240046 0.87 CHKA (0.44) MELKCHKANPC1TP53RAB9A
SCHEMBL3235975 0.83 HRH3 (0.43) MELKPDK1
SCHEMBL3242136 0.82 HRH3 (0.45) MELK
SCHEMBL3245515 0.80 CCR5 (0.42) MELKGAAKDM4E
SCHEMBL3239800 0.80 HRH3 (0.44) MELKPDK1
SCHEMBL3241365 0.80 ACHE (0.45) NPC1RAB9AKDM4EPDK1
SCHEMBL3240040 0.80 MAOB (0.38) MELKKDM4E
SCHEMBL3242256 0.80 PYCR1 (0.35) MELKNPC1
SCHEMBL3238052 0.79 MELK (0.37) MELKKDM4E
SCHEMBL3237696 0.79 MELK (0.35) MELK

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-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-12-24 US disclosed
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-12-24 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-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives CFTR, PKD1, PKD2 MELK 2699/4885GAA 714/4885CMKLR1 1332/4885

“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.