SCHEMBL3350229

SCHEMBL3350229

NCc1cc(CF)cc(CF)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 7/20 0.39
HRH3 Q9Y5N1 1/20 0.36
ABAT P80404 1/20 0.33
PNMT P11086 1/20 0.33
ENPP2 Q13822 1/20 0.33
ST14 Q9Y5Y6 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
NOS3 P29474 2/20 0.32
NOS1 P29475 2/20 0.32
NOS2 P35228 2/20 0.32
PRMT6 Q96LA8 1/20 0.31
RAD52 P43351 1/20 0.31
KMT2A Q03164 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
LOX P28300 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
SCHEMBL2028886 0.87 ACHE (0.39) LOXL2ABATENPP2NOS3NOS1
SCHEMBL12296155 0.83 IDO1 (0.45) LOXL2TAAR1LOX
SCHEMBL63392 0.83 LOXL2 (0.47) LOXL2HRH3ABATPNMTENPP2
Hydrochloric Acid SCHEMBL28226722 0.79 LOXL2 (0.44) LOXL2HRH3ABATPNMTENPP2
SCHEMBL4599484 0.78 LOXL2 (0.55) LOXL2HRH3PNMTENPP2TAAR1
SCHEMBL8053641 0.76 LOXL2 (0.37) LOXL2NOS1NOS2LOX
SCHEMBL27327455 0.76 LOXL2 (0.32) LOXL2
SCHEMBL12728253 0.75 ALDH1A1 (0.33)
SCHEMBL1646200 0.75 LOXL2 (0.60) LOXL2HRH3ABATST14TAAR1
Hydrochloric Acid SCHEMBL5374338 0.75 TAAR1 (0.42) LOXL2PNMTTAAR1KMT2A

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-20180370966-A1 METHODS OF TREATMENT USING PYRIDINONYL PDK1 INHIBITORS SUNESIS PHARMACEUTICALS, INC. 2018-12-27 US disclosed
US-9873693-B2 Methods of treatment using pyridinonyl PDK1 inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2018-01-23 US disclosed
CN-101541783-B pyridinonyl PDK1 inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2014-10-01 CN disclosed
US-8778977-B2 Pyridinonyl PDK1 inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2014-07-15 US disclosed
EP-2038272-B1 PYRIDINONYL PDK1 INHIBITORS SUNESIS PHARMACEUTICALS INC (US) 2013-09-04 EP disclosed
US-20100144730-A1 PYRIDINONYL PDK1 INHIBITORS SUNESIS PHAMACEUTICALS (US) 2010-06-10 US disclosed
EP-2038272-A2 PYRIDINONYL PDK1 INHIBITORS Sunesis Pharmaceuticals, Inc. (US) 2009-03-25 EP disclosed
WO-2008005457-A2 PYRIDINONYL PDK1 INHIBITORS SUNESIS PHARMACEUTICALS (US) 2008-01-10 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-20180370966-A1 METHODS OF TREATMENT USING PYRIDINONYL PDK1 INHIBITORS PDK1, PDK2, PDK3 LOXL2 3299/4885HRH3 2978/4885ABAT 740/4885
US-20100144730-A1 PYRIDINONYL PDK1 INHIBITORS PDK1, PDK2, PDK3 LOXL2 3740/4885HRH3 3654/4885ABAT 1242/4885

“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.