SCHEMBL710183

SCHEMBL710183

COc1cc(-c2ccc(C(F)(F)F)cn2)n2ncnc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.42
ALDH1A1 P00352 7/20 0.42
MBOAT4 Q96T53 5/20 0.42
NPSR1 Q6W5P4 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
USP2 O75604 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HPGD P15428 4/20 0.40
LMNA P02545 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
PDE2A O00408 4/20 0.39
DYRK3 O43781 2/20 0.39

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
SCHEMBL707344 0.81 KDM4E (0.42) KDM4EALDH1A1MBOAT4NPSR1SMN1; SMN2
SCHEMBL707319 0.79 KDM4E (0.41) KDM4EALDH1A1MBOAT4NPSR1SMN1; SMN2
SCHEMBL708584 0.79 KDM4E (0.64) KDM4EALDH1A1NPSR1SMN1; SMN2USP2
SCHEMBL28074599 0.70 TSHR (0.43) KDM4ENPSR1SMN1; SMN2TSHR
SCHEMBL132252 0.66 GABRA1 (0.46) KDM4ENPSR1SMN1; SMN2MAPTTSHR
SCHEMBL706407 0.66 TSHR (0.63) KDM4ENPSR1SMN1; SMN2MAPTTSHR
SCHEMBL30980818 0.66 TSHR (0.63) KDM4ENPSR1SMN1; SMN2MAPTTSHR
SCHEMBL9632435 0.66 ALDH1A1 (0.43) KDM4EALDH1A1NPSR1SMN1; SMN2CYP1A2
SCHEMBL9677374 0.66 ALDH1A1 (0.43) KDM4EALDH1A1NPSR1SMN1; SMN2CYP1A2
SCHEMBL29620872 0.64 CYP11B1 (0.46) KDM4ENPSR1CYP1A2CYP2D6PDE2A

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 KDM4E 1717/4885ALDH1A1 1866/4885MBOAT4 2940/4885

“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.