SCHEMBL11942297

SCHEMBL11942297

Cc1cc(N)c(F)c(F)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.41
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
NR4A2 P43354 2/20 0.37
TERT O14746 1/20 0.37
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
KDM4E B2RXH2 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
ADORA2A P29274 2/20 0.34
ADORA1 P30542 2/20 0.34
UHRF1 Q96T88 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33

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
SCHEMBL25136844 0.77 NR4A2 (0.43) NCF1NOS3NOS1NOS2HSP90AA1
SCHEMBL30390485 0.77 NR4A2 (0.43) NCF1NOS3NOS1NOS2HSP90AA1
SCHEMBL4850782 0.75 MEN1 (0.31) TERTMEN1KMT2A
SCHEMBL11942296 0.75 POLB (0.35) NOS3NOS1NOS2HSP90AA1HSP90AB1
SCHEMBL2596885 0.70 UHRF1 (0.35) NCF1NOS3NOS1NOS2TERT
SCHEMBL29577966 0.68
SCHEMBL2239222 0.68
SCHEMBL23181492 0.68 NOS3 (0.37) NCF1NOS3NOS1NOS2HSP90AA1
SCHEMBL11029735 0.67 KHK (0.35) KDM4E
SCHEMBL6588500 0.66 NR4A2 (0.45) NCF1NR4A2TERTKDM4EALDH1A1

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
US-8993772-B2 Process for the preparation of 4-amino-5-fluoro-3-halo-6-(substituted)picolinates DOW AGROSCIENCES, LLC. (US) 2015-03-31 US disclosed
US-20140206881-A1 PROCESS FOR THE PREPARATION OF 4-AMINO-5-FLUORO-3-HALO-6-(SUBSTITUTED)PICOLINATES DOW AGROSCIENCES LLC (US) 2014-07-24 US disclosed
US-20120190859-A1 PROCESS FOR THE PREPARATION OF 4-AMINO-5-FLUORO-3-HALO-6-(SUBSTITUTED)PICOLINATES DOW AGROSCIENCES LLC (US) 2012-07-26 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 (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-20120190859-A1 PROCESS FOR THE PREPARATION OF 4-AMINO-5-FLUORO-3-HALO-6-(SUBSTITUTED)PICOLINATES CYP4F3, CYP4F12, AFF4 NCF1 940/4885NOS3 1363/4885NOS1 2661/4885
US-20140206881-A1 PROCESS FOR THE PREPARATION OF 4-AMINO-5-FLUORO-3-HALO-6-(SUBSTITUTED)PICOLINATES CYP4F3, CYP4F12, AFF4 NCF1 940/4885NOS3 1363/4885NOS1 2661/4885

“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.