SCHEMBL3240046

SCHEMBL3240046

CN1CCCN(Cc2ccc(CN(C)Cc3ccc(COc4ncc(-c5cc(Cl)c(O)c(Cl)c5)nn4)cc3)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHKA P35790 9/20 0.44
MELK Q14680 7/20 0.42
KDM4E B2RXH2 1/20 0.40
CA2 P00918 1/20 0.38
NCF1 P14598 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
RAB9A P51151 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
SCHEMBL3235975 0.94 HRH3 (0.43) MELKHRH3
SCHEMBL3242136 0.93 HRH3 (0.45) MELKHRH3
SCHEMBL3239800 0.91 HRH3 (0.44) MELKHRH3
SCHEMBL8024746 0.87 MELK (0.33) CHKAMELKKDM4ENPC1TP53
SCHEMBL3240305 0.85 PDK1 (0.41) MELKNCF1PRMT6HRH3NPC1
SCHEMBL3245515 0.82 CCR5 (0.42) MELKKDM4E
SCHEMBL3242256 0.81 PYCR1 (0.35) MELKNPC1
SCHEMBL3237696 0.81 MELK (0.35) MELK
SCHEMBL3235754 0.80 MEN1 (0.50) MELKHRH3
SCHEMBL3241365 0.80 ACHE (0.45) KDM4ENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009131958-A2 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING TRIAZINE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2009-10-29 WO claimed
US-20090264433-A1 Compounds, Compositions and Methods Comprising Triazine Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-10-22 US claimed
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 US disclosed
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 US disclosed
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 US disclosed
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-12-24 US disclosed
WO-2009131958-A2 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING TRIAZINE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2009-10-29 WO disclosed
US-20090264433-A1 Compounds, Compositions and Methods Comprising Triazine Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-10-22 US disclosed
US-20090264433-A1 Compounds, Compositions and Methods Comprising Triazine Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-10-22 US disclosed
US-20090264433-A1 Compounds, Compositions and Methods Comprising Triazine Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-10-22 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 (3 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-20090264433-A1 Compounds, Compositions and Methods Comprising Triazine Derivatives CFTR, PKD1, PKD2 CHKA 649/4885MELK 3208/4885KDM4E 4514/4885
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives CFTR, PKD1, PKD2 CHKA 481/4885MELK 2699/4885KDM4E 4565/4885
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives CFTR, PKD1, PKD2 CHKA 481/4885MELK 2699/4885KDM4E 4565/4885

“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.