SCHEMBL710046

SCHEMBL710046

CC(Br)c1cc(-c2ncc(C(F)(F)F)cc2Cl)n2ncnc2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.39
ALDH1A1 P00352 8/20 0.38
KDM4E B2RXH2 7/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 4/20 0.37
NPC1 O15118 3/20 0.37
PKM P14618 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
STAT3 P40763 1/20 0.37
STAT1 P42224 1/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
HPGD P15428 3/20 0.35
MBOAT4 Q96T53 2/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL709421 0.83 KDM4E (0.51) PDE2AALDH1A1KDM4ESMN1; SMN2POLB
SCHEMBL710035 0.82 ALDH1A1 (0.43) PDE2AALDH1A1KDM4ESMN1; SMN2POLB
SCHEMBL710042 0.80 PDE2A (0.42) PDE2AALDH1A1KDM4ESMN1; SMN2POLB
SCHEMBL710462 0.80 ALDH1A1 (0.40) PDE2AALDH1A1KDM4ESMN1; SMN2POLB
SCHEMBL710043 0.80 MBOAT4 (0.41) PDE2AALDH1A1KDM4ESMN1; SMN2POLB
SCHEMBL707450 0.77 PDE2A (0.40) PDE2AALDH1A1KDM4ESMN1; SMN2POLB
SCHEMBL3378140 0.77 MBOAT4 (0.43) ALDH1A1KDM4ESMN1; SMN2POLBRAB9A
SCHEMBL708758 0.76 EGLN2 (0.45) PDE2AALDH1A1KDM4ESMN1; SMN2POLB
SCHEMBL710184 0.74 PDE2A (0.38) PDE2AALDH1A1KDM4ESMN1; SMN2POLB
SCHEMBL27748193 0.64 P2RX7 (0.34) PDE2ASMN1; SMN2

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 PDE2A 1240/4885ALDH1A1 1866/4885KDM4E 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.