SCHEMBL710043

SCHEMBL710043

CC(C)c1cc(-c2ncc(C(F)(F)F)cc2Br)n2ncnc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 9/20 0.41
TP53 P04637 1/20 0.34
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 4/20 0.33
TSHR P16473 3/20 0.33
NPSR1 Q6W5P4 3/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
USP2 O75604 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GAA P10253 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
UBE2M P61081 1/20 0.32
DCUN1D1 Q96GG9 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
SCHEMBL710046 0.80 PDE2A (0.39) MBOAT4KDM4EALDH1A1NPSR1MAPT
SCHEMBL710463 0.77 SMN1; SMN2 (0.43) MBOAT4KDM4EALDH1A1NPSR1MAPT
SCHEMBL709421 0.71 KDM4E (0.51) KDM4EALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL710035 0.69 ALDH1A1 (0.43) MBOAT4KDM4EALDH1A1NPSR1MAPT
SCHEMBL710462 0.68 ALDH1A1 (0.40) MBOAT4KDM4EALDH1A1TSHRNPSR1
SCHEMBL710042 0.68 PDE2A (0.42) MBOAT4KDM4EALDH1A1NPSR1MAPT
SCHEMBL3378140 0.65 MBOAT4 (0.43) MBOAT4KDM4EALDH1A1TSHRNPSR1
SCHEMBL707450 0.65 PDE2A (0.40) MBOAT4KDM4EALDH1A1TSHRNPSR1
SCHEMBL19194890 0.64 ALDH1A1 (0.43) KDM4EALDH1A1TSHRNPSR1MAPT
SCHEMBL18358125 0.64 ALDH1A1 (0.43) KDM4EALDH1A1TSHRNPSR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2118113-B1 PYRIDYL-TRIAZOLOPYRIMIDINE DERIVATIVE OR ITS SALT, PESTICIDE CONTAINING IT AND ITS PRODUCTION PROCESS ISHIHARA SANGYO KAISHA (JP) 2013-01-30 EP disclosed
US-8124760-B2 Pyridyl-triazolopyrimidine derivative or its salt, pesticide containing it and its production process ISHIHARA SANGYO KAISHA, LTD. (JP) 2012-02-28 US disclosed
US-20100087452-A1 PYRIDYL-TRIAZOLOPYRIMIDINE DERIVATIVE OR ITS SALT, PESTICIDE CONTAINING IT AND ITS PRODUCTION PROCESS ISHIHARA SANGYO KAISHA, LTD (JP) 2010-04-08 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-20100087452-A1 PYRIDYL-TRIAZOLOPYRIMIDINE DERIVATIVE OR ITS SALT, PESTICIDE CONTAINING IT AND ITS PRODUCTION PROCESS SCN5A, CHRNA5, NR5A2 MBOAT4 2940/4885TP53 3745/4885KDM4E 1717/4885

“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.