SCHEMBL1201822

SCHEMBL1201822

Cc1cc(Oc2ccc(Cl)c(C(F)(F)F)c2)ncc1N

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
POLB P06746 1/20 0.50
KDR P35968 5/20 0.44
RAF1 P04049 2/20 0.43
MAPK3 P27361 2/20 0.43
PIK3CA P42336 1/20 0.43
MAPK10 P53779 2/20 0.43
MAPK8 P45983 1/20 0.43
CDK8 P49336 2/20 0.42
PLA2G7 Q13093 3/20 0.41
BRAF P15056 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 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
SCHEMBL15195551 0.88 KDM4E (0.47) KDM4EPOLBKDRRAF1MAPK3
SCHEMBL3457827 0.80 CDK8 (0.49) KDM4EPOLBKDRRAF1PIK3CA
SCHEMBL1201480 0.80 KDR (0.43) KDM4EPOLBKDRRAF1MAPK3
SCHEMBL7885604 0.78 RAF1 (0.49) KDRRAF1MAPK3MAPK10MAPK8
SCHEMBL5179755 0.77 SCN9A (0.43) KDRRAF1CDK8PLA2G7BRAF
SCHEMBL12878904 0.77 KDR (0.39) KDM4EPOLBKDRRAF1MAPK3
SCHEMBL1201059 0.77 POLB (0.47) KDM4EPOLBKDRRAF1PIK3CA
SCHEMBL21572388 0.74 CYP1A2 (0.50) KDM4EPOLBMAPK10CDK8BRAF
SCHEMBL14656102 0.74 CDK8 (0.67) KDRRAF1PIK3CACDK8BRAF
SCHEMBL7791086 0.74 KDR (0.49) KDRRAF1MAPK3MAPK10MAPK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096525-B2 Iminipyridine derivatives and their uses as microbiocides SYNGENTA CROP PROTECTION, LLC (US) 2015-08-04 US disclosed
US-9096525-B2 Iminipyridine derivatives and their uses as microbiocides SYNGENTA CROP PROTECTION, LLC (US) 2015-08-04 US disclosed
US-9096525-B2 Iminipyridine derivatives and their uses as microbiocides SYNGENTA CROP PROTECTION, LLC (US) 2015-08-04 US disclosed
US-20130338105-A1 IMINIPYRIDINE DERIVATIVES AND THEIR USES AS MICROBIOCIDES SYNGENTA CROP PROTECTION LLC (US) 2013-12-19 US disclosed
US-8513286-B2 Iminipyridine derivatives and their uses as microbiocides SYNGENTA CROP PROTECTION LLC (US) 2013-08-20 US disclosed
US-8513286-B2 Iminipyridine derivatives and their uses as microbiocides SYNGENTA CROP PROTECTION LLC (US) 2013-08-20 US disclosed
US-8513286-B2 Iminipyridine derivatives and their uses as microbiocides SYNGENTA CROP PROTECTION LLC (US) 2013-08-20 US disclosed
US-20110046088-A1 IMINIPYRIDINE DERIVATIVES AND THEIR USES AS MICROBIOCIDES SYNGENTA CROP PROTECTION, INC. (US) 2011-02-24 US disclosed
US-20110046088-A1 IMINIPYRIDINE DERIVATIVES AND THEIR USES AS MICROBIOCIDES SYNGENTA CROP PROTECTION, INC. (US) 2011-02-24 US disclosed
US-20110046088-A1 IMINIPYRIDINE DERIVATIVES AND THEIR USES AS MICROBIOCIDES SYNGENTA CROP PROTECTION, INC. (US) 2011-02-24 US disclosed
EP-2125734-A2 NOVEL MICROBIOCIDES Syngeta Participations AG (CH) 2009-12-02 EP disclosed
WO-2008101682-A2 IMINIPYRIDINE DERIVATIVES AND THEIR USES AS MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-08-28 WO disclosed
WO-2008101682-A2 IMINIPYRIDINE DERIVATIVES AND THEIR USES AS MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-08-28 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-20110046088-A1 IMINIPYRIDINE DERIVATIVES AND THEIR USES AS MICROBIOCIDES CD14, MYADM, MPO KDM4E 3086/4885POLB 769/4885KDR 4462/4885
US-20130338105-A1 IMINIPYRIDINE DERIVATIVES AND THEIR USES AS MICROBIOCIDES CD14, MYADM, MPO KDM4E 2801/4885POLB 842/4885KDR 4453/4885

“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.