O-Xylene

O-Xylene

SCHEMBL15645643

Cc1ccccc1C.Clc1ccnc2[nH]c3ccccc3c12

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 4/20 0.61
AURKA O14965 2/20 0.59
AURKB Q96GD4 1/20 0.59
PTK6 Q13882 7/20 0.59
UTS2R Q9UKP6 5/20 0.48
ALK Q9UM73 3/20 0.48
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
GABRP O00591 2/20 0.44
GABRD O14764 2/20 0.44
GABRA1 P14867 2/20 0.44
GABRB1 P18505 2/20 0.44
GABRG2 P18507 2/20 0.44
GABRB3 P28472 2/20 0.44
GABRA5 P31644 2/20 0.44
GABRA3 P34903 2/20 0.44
GABRA2 P47869 2/20 0.44
GABRB2 P47870 2/20 0.44
GABRA4 P48169 2/20 0.44

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
SCHEMBL675631 0.92 AURKA (0.68) ERBB2AURKAAURKBPTK6UTS2R
SCHEMBL31240940 0.92 AURKA (0.68) ERBB2AURKAAURKBPTK6UTS2R
SCHEMBL23967951 0.82 ERBB2 (0.65) ERBB2AURKAPTK6UTS2RALK
SCHEMBL17131663 0.75 AURKA (0.63) ERBB2AURKAAURKBPTK6ALK
SCHEMBL17578370 0.75 ERBB2 (0.49) ERBB2AURKAAURKBPTK6UTS2R
SCHEMBL679019 0.74 AURKA (1.00) ERBB2AURKAAURKB
SCHEMBL2157055 0.73 AURKA (0.53) AURKAAURKBMAPTGABRPGABRD
SCHEMBL676245 0.73 ALK (0.62) AURKAAURKBPTK6ALK
SCHEMBL17578400 0.73 ERBB2 (0.50) ERBB2AURKAAURKBPTK6UTS2R
SCHEMBL16011809 0.71 ALK (0.54) ERBB2AURKAPTK6UTS2RALK

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
EP-2900666-B1 AZAQUINAZOLINE INHIBITORS OF ATYPICAL PROTEIN KINASE C CANCER RESEARCH TECH LTD (GB) 2020-11-04 EP disclosed
US-9914730-B2 Azaquinazoline inhibitors of Atypical protein Kinase C CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-03-13 US disclosed
US-9896446-B2 Azaquinazoline inhibitors of atypical protein kinase C CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-02-20 US disclosed
US-20160102094-A1 Azaquinazoline Inhibitors of Atypical Protein Kinase C IGNYTA, INC. (US) 2016-04-14 US disclosed
EP-2900666-A1 AZAQUINAZOLINE INHIBITORS OF ATYPICAL PROTEIN KINASE C Ignyta, Inc. (US) 2015-08-05 EP disclosed
WO-2014052699-A9 AZAQUINAZOLINE INHIBITORS OF ATYPICAL PROTEIN KINASE C IGNYTA, INC. (US) 2015-07-16 WO disclosed
US-20140113882-A1 Azaquinazoline Inhibitors of Atypical Protein Kinase C CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2014-04-24 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-20160102094-A1 Azaquinazoline Inhibitors of Atypical Protein Kinase C PRKCQ, PRKCZ, PRKCE ERBB2 776/4885AURKA 504/4885AURKB 549/4885
US-20140113882-A1 Azaquinazoline Inhibitors of Atypical Protein Kinase C PRKCQ, PRKCZ, PRKCE ERBB2 846/4885AURKA 518/4885AURKB 524/4885

“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.