SCHEMBL5553199

SCHEMBL5553199

Cc1cnc(-n2cc(C(F)(F)F)cn2)nc1Oc1ccnc(C(F)(F)F)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.35
KDM4E B2RXH2 6/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
GRM2 Q14416 2/20 0.35
HPGD P15428 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MAPT P10636 1/20 0.34
RXRA P19793 2/20 0.34
GRIN1 Q05586 2/20 0.34
GRIN2B Q13224 2/20 0.34
DRD1 P21728 1/20 0.34
HSD17B10 Q99714 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
ALOX5AP P20292 2/20 0.32
FEN1 P39748 2/20 0.32
TGFBR1 P36897 1/20 0.32
KMT2A Q03164 2/20 0.31
PPP1CA P62136 1/20 0.31

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
SCHEMBL5551399 0.84 ALDH1A1 (0.47) ALDH1A1KDM4ESMN1; SMN2NPSR1MAPT
SCHEMBL5382636 0.76 RXRA (0.36) ALDH1A1KDM4ESMN1; SMN2GRM2HPGD
SCHEMBL7873623 0.73 ALDH1A1 (0.44) ALDH1A1KDM4ENPSR1MAPTSLC6A2
SCHEMBL5395664 0.72 GRIN1 (0.40) GRM2RXRAGRIN1GRIN2BALOX5AP
SCHEMBL7876395 0.71 ALDH1A1 (0.44) ALDH1A1KDM4ENPSR1MAPTSLC6A2
SCHEMBL7470124 0.70 PPP1CA (0.35) ALDH1A1GRIN1GRIN2BDRD1ALOX5AP
SCHEMBL7881244 0.69 ALDH1A1 (0.44) ALDH1A1KDM4ENPSR1MAPTSLC6A2
SCHEMBL8720836 0.68 KMT2A (0.36) ALDH1A1NPSR1MAPTDRD1KMT2A
SCHEMBL27894825 0.68 LOXL2 (0.50) ALOX5APFEN1TGFBR1
SCHEMBL25315538 0.67 IDH1 (0.43) GRM2DRD1TGFBR1

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-7282469-B2 4-trifluoromethylpyrazolyl-substituted pyridines and pyrimidines BAYER CROPSCIENCE GMBH (DE) 2007-10-16 US disclosed
EP-1527067-B1 4-TRIFLUOROMETHYLPYRAZOLYL SUBSTITUTED PYRIDINES AND PYRIMIDINES BAYER CROPSCIENCE GMBH (DE) 2006-10-04 EP disclosed
EP-1527067-A1 4-TRIFLUOROMETHYLPYRAZOLYL SUBSTITUTED PYRIDINES AND PYRIMIDINES Bayer CropScience GmbH (DE) 2005-05-04 EP disclosed
US-20040082475-A1 4-trifluoromethylpyrazolyl-substituted pyridines and pyrimidines BAYER CROPSCIENCE AG (DE) 2004-04-29 US disclosed
WO-2004013129-A1 4-TRIFLUOROMETHYLPYRAZOLYL SUBSTITUTED PYRIDINES AND PYRIMIDINES BAYER CROPSCIENCE GMBH (DE) 2004-02-12 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-20040082475-A1 4-trifluoromethylpyrazolyl-substituted pyridines and pyrimidines NOX4, CYP4X1, ROS1 ALDH1A1 394/4885KDM4E 1306/4885SMN1; SMN2 2028/4885

“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.