SCHEMBL5200890

SCHEMBL5200890

FC(F)(F)c1cnc(C(Cc2ccccc2)N=C(c2ccccc2)c2ccccc2)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GLA P06280 2/20 0.47
HPGD P15428 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
KMT2A Q03164 5/20 0.43
MEN1 O00255 3/20 0.42
POLB P06746 2/20 0.42
LMNA P02545 2/20 0.42
GAA P10253 1/20 0.42
ALDH1A1 P00352 2/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL784479 0.78 ALDH1A1 (0.52) GLAHPGDMRGPRX4NPSR1KMT2A
Hydrochloric Acid SCHEMBL5202859 0.76 GAA (0.45) GLAHPGDKMT2AMEN1POLB
SCHEMBL636057 0.75 KMT2A (0.56) GLAHPGDMRGPRX4KMT2AMEN1
SCHEMBL5202284 0.71 GLA (0.53) GLAHPGDMRGPRX4NPSR1KMT2A
SCHEMBL5202247 0.70 KMT2A (0.53) GLAHPGDMRGPRX4NPSR1KMT2A
SCHEMBL6553866 0.68 LMNA (0.60) GLAHPGDMRGPRX4NPSR1KMT2A
SCHEMBL10611673 0.65 MAPK1 (0.56) KMT2AMEN1POLBLMNAGAA
SCHEMBL3774595 0.65 MAPK1 (0.69) GLAHPGDKMT2AMEN1POLB
SCHEMBL6743790 0.65 MRGPRX4 (0.71) GLAHPGDMRGPRX4NPSR1KMT2A
SCHEMBL4588060 0.65 KMT2A (0.57) GLAHPGDMRGPRX4NPSR1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1056723-B1 2-PYRIDYLMETHYLAMINE DERIVATIVES USEFUL AS FUNGICIDES BAYER CROPSCIENCE LTD (GB) 2007-11-28 EP disclosed
US-6828441-B2 Agriculture AVENTIS CROPSCIENCE UK LIMITED (GB) 2004-12-07 US disclosed
CN-1132816-C 2-pyridylmethylamine derivatives useful as fungicides AVENTIS CROPSCIENCE UK LTD. (GB) 2003-12-31 CN disclosed
US-20030171410-A1 2-pyridylmethylamine derivatives useful as fungicides AVENTIS CROPSCIENCE UK LIMITED 2003-09-11 US disclosed
US-6503933-B1 Combating phytopathogenic fungi AVENTIS CROPSCIENCE UK LIMITED (GB) 2003-01-07 US disclosed
CN-1291187-A 2-pyridylmethylamine derivatives useful as fungicides AGREVO UK LTD (GB) 2001-04-11 CN disclosed
EP-1056723-A1 2-PYRIDYLMETHYLAMINE DERIVATIVES USEFUL AS FUNGICIDES Aventis CropScience UK Limited (GB) 2000-12-06 EP disclosed
WO-1999042447-A1 2-PYRIDYLMETHYLAMINE DERIVATIVES USEFUL AS FUNGICIDES AVENTIS CROPSCIENCE UK LIMITED (GB) 1999-08-26 WO 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-20030171410-A1 2-pyridylmethylamine derivatives useful as fungicides PNPO, ME1, CYP2S1 GLA 2862/4885HPGD 2280/4885MRGPRX4 4272/4885

“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.