SCHEMBL3241193

SCHEMBL3241193

CN(Cc1ccc(COc2ncc(-c3cc(Cl)c(O)c(Cl)c3)nn2)cc1)c1ccc(C(F)(F)F)nc1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.37
PTGDR2 Q9Y5Y4 6/20 0.36
GPBAR1 Q8TDU6 2/20 0.34
GRM2 Q14416 1/20 0.34
PTGS2 P35354 1/20 0.33
PTGES O14684 2/20 0.32
HSD17B13 Q7Z5P4 1/20 0.32
PPARA Q07869 1/20 0.32
FABP4 P15090 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
DYRK1A Q13627 1/20 0.32

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
SCHEMBL3239897 0.83 HDAC1 (0.36) PTGDR2PPARADYRK1A
SCHEMBL3241206 0.82 CNR1 (0.36) KCNH2GRM2PTGS2PTGESHSD17B13
SCHEMBL3243084 0.79 MELK (0.33) DYRK1A
SCHEMBL3242256 0.79 PYCR1 (0.35) PPARADYRK1A
SCHEMBL3245515 0.78 CCR5 (0.42) DYRK1A
SCHEMBL3232927 0.78 MRGPRX4 (0.35) KCNH2PTGESPPARAMRGPRX4DYRK1A
SCHEMBL3240040 0.77 MAOB (0.38) DYRK1A
SCHEMBL3237696 0.77 MELK (0.35) DYRK1A
SCHEMBL3235731 0.77 AKR1C2 (0.43) PTGESHSD17B13MRGPRX4
SCHEMBL3245757 0.76 RPS6KA3 (0.40) PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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 KCNH2 133/4885PTGDR2 329/4885GPBAR1 11/4885
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives CFTR, PKD1, PKD2 KCNH2 362/4885PTGDR2 951/4885GPBAR1 26/4885
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives CFTR, PKD1, PKD2 KCNH2 362/4885PTGDR2 951/4885GPBAR1 26/4885

“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.