O-Xylene

O-Xylene

SCHEMBL3380141

Cc1ccccc1C.O=C1N=c2cccnc2=N1

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
TSHR P16473 1/20 0.36
ACHE P22303 1/20 0.36
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
CTNNB1 P35222 1/20 0.34
WNT3A P56704 1/20 0.34
HTT P42858 1/20 0.34
ATM Q13315 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ATAD2 Q6PL18 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 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
SCHEMBL260818 0.89 TDP1 (0.37) TSHRHTTKMT2AGAASMN1; SMN2
Hydrochloric Acid SCHEMBL26638317 0.87 TDP1 (0.35) TSHRHTTKMT2AGAASMN1; SMN2
SCHEMBL37950 0.68 MEN1 (0.35) NPC1RAB9AHTTNPSR1KMT2A
SCHEMBL28072669 0.68 MEN1 (0.35) NPC1RAB9AHTTNPSR1KMT2A
SCHEMBL31241401 0.66 APAF1 (0.33) NPC1RAB9AHTTNPSR1KMT2A
Hydrochloric Acid SCHEMBL4647777 0.66 APAF1 (0.33) NPC1RAB9AHTTNPSR1KMT2A
Water SCHEMBL11357123 0.66 APAF1 (0.33) NPC1RAB9AHTTNPSR1KMT2A
SCHEMBL27461562 0.66 APAF1 (0.33) NPC1RAB9AHTTNPSR1KMT2A
SCHEMBL640436 0.66 APAF1 (0.33) NPC1RAB9AHTTNPSR1KMT2A
SCHEMBL9541161 0.65 KDM4E (0.31) TSHRHTTSMN1; SMN2ALDH1A1KDM4E

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 7 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
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 NOS3 4229/4885NOS1 4382/4885NOS2 4351/4885
US-20100144730-A1 PYRIDINONYL PDK1 INHIBITORS PDK1, PDK2, PDK3 NOS3 4133/4885NOS1 4103/4885NOS2 4258/4885

“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.