SCHEMBL6777807

SCHEMBL6777807

Cc1nnc(-c2cnccc2C(F)(F)F)o1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.48
ALDH1A1 P00352 5/20 0.45
L3MBTL1 Q9Y468 3/20 0.42
CYP11B2 P19099 2/20 0.40
PDK2 Q15119 1/20 0.40
NLRP3 Q96P20 1/20 0.39
SLC22A12 Q96S37 1/20 0.38
S1PR1 P21453 1/20 0.38
FLT1 P17948 1/20 0.37
KDR P35968 1/20 0.37
LRRK2 Q5S007 2/20 0.36
KDM4E B2RXH2 2/20 0.36
CYP11B1 P15538 1/20 0.36
NPC1 O15118 1/20 0.36
CYP17A1 P05093 1/20 0.36

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
SCHEMBL6778832 0.79 NPC1 (0.56) ALDH1A1L3MBTL1KDM4ENPC1
SCHEMBL6973287 0.78 ALDH1A1 (0.45) ALDH1A1L3MBTL1CYP11B2SLC22A12S1PR1
SCHEMBL6780880 0.77 NPC1 (0.58) ALDH1A1L3MBTL1SLC22A12KDM4ENPC1
SCHEMBL6779584 0.77 KDM4E (0.58) NOTUMALDH1A1L3MBTL1KDM4ENPC1
SCHEMBL15236975 0.74 S1PR1 (0.48) ALDH1A1L3MBTL1CYP11B2PDK2SLC22A12
SCHEMBL6780752 0.74 L3MBTL1 (0.56) ALDH1A1L3MBTL1SLC22A12S1PR1FLT1
SCHEMBL6780660 0.74 KDM4E (0.49) NOTUMALDH1A1L3MBTL1FLT1KDR
SCHEMBL12171815 0.73 NPC1 (0.54) ALDH1A1KDM4ENPC1
SCHEMBL6776559 0.73 NPC1 (0.54) NOTUMALDH1A1L3MBTL1KDRKDM4E
SCHEMBL7977879 0.72 KDR (0.39) ALDH1A1NLRP3SLC22A12FLT1KDR

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
US-6699853-B2 PROTECTING USEFUL PLANTS AGAINST THE UNDESIRABLE ACTION OF HARMFUL INSECTS, ACARIDS AND NEMATODES, HOECHST SCHERING AGREVO GMBH (DE) 2004-03-02 US disclosed
US-20030162812-A1 4-haloalkyl-3-heterocyclylpyridines, 4-haloalkyl-5-heterocyclyl-pyrimidines and 4-trifluoromethyl-3-oxadiazolylpyridines, processes for their preparation, compositions comprising them, and their use as pesticides HARMSEN SVEN (DE) 2003-08-28 US disclosed
US-6521610-B2 For controlling harmful insects, acarina and nematodes HOECHST SCHERING AGREVO GMBH (DE) 2003-02-18 US disclosed
US-20020013326-A1 4-Haloalkyl-3-heterocyclylpyridines and 4-haloalkyl-5-heterocyclyl-pyrimidines, processes for their preparation, compositions comprising them, and their use as pesticides TIEBES JORG (DE) 2002-01-31 US disclosed
US-6239160-B1 4-haloalkyl-3-heterocyclylpyridines and 4-haloalkyl-5-heterocyclylpyrimidines, processes for their preparation, compositions comprising them, and their use as pesticides HOECHST SCHERING AGREVO GMBH (DE) 2001-05-29 US disclosed
WO-2000035285-A1 4-HALOALKYL-3-HETEROCYCLYLPYRIDINES AND 4-HALOALKYL-5-HETEROCYCLYL-PYRIMIDINES AND THEIR USE AS REPELLENTS AVENTIS CROPSCIENCE GMBH (DE) 2000-06-22 WO disclosed
EP-0991648-A1 4-HALOALKYL-3- HETEROCYCLYLPYRIDINES AND 4-HALOALKYL -5-HETEROCYCLYLPYRIDINES, METHOD FOR THE PRODUCTION THEREOF, AGENTS CONTAINING THE SAME AND THEIR USE AS PESTICIDES Hoechst Schering AgrEvo GmbH (DE) 2000-04-12 EP disclosed
WO-1998057969-A1 4-HALOALKYL-3- HETEROCYCLYLPYRIDINES AND 4-HALOALKYL -5-HETEROCYCLYLPYRIDINES, METHOD FOR THE PRODUCTION THEREOF, AGENTS CONTAINING THE SAME AND THEIR USE AS PESTICIDES HOECHST SCHERING AGREVO GMBH (DE) 1998-12-23 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 (2 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-20030162812-A1 4-haloalkyl-3-heterocyclylpyridines, 4-haloalkyl-5-heterocyclyl-pyrimidines and 4-trifluoromethyl-3-oxadiazolylpyridines, processes for their preparation, compositions comprising them, and their use as pesticides DDT, HCK, HPD NOTUM 1718/4885ALDH1A1 1618/4885L3MBTL1 3042/4885
US-20020013326-A1 4-Haloalkyl-3-heterocyclylpyridines and 4-haloalkyl-5-heterocyclyl-pyrimidines, processes for their preparation, compositions comprising them, and their use as pesticides DDT, HAX1, HDHD5 NOTUM 2025/4885ALDH1A1 1196/4885L3MBTL1 1476/4885

“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.