O-Xylene

O-Xylene

SCHEMBL522767

Cc1ccccc1C.c1ccc2c(c1)OCCO2

nearest known ligand 0.74

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.74
ICAM1 P05362 1/20 0.74
ITGAL P20701 1/20 0.74
SMN1; SMN2 Q16637 4/20 0.64
LMNA P02545 2/20 0.64
CRHBP P24387 2/20 0.64
CRHR2 Q13324 2/20 0.64
HTT P42858 1/20 0.64
TSHR P16473 1/20 0.53
ACHE P22303 1/20 0.53
ABCG2 Q9UNQ0 1/20 0.50
GAA P10253 1/20 0.50
MAP3K14 Q99558 1/20 0.48
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
POLB P06746 1/20 0.45
CTNNB1 P35222 1/20 0.44
WNT3A P56704 1/20 0.44
KDM4E B2RXH2 2/20 0.43
HPGD P15428 1/20 0.41

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
SCHEMBL11406989 0.86 ITGB2 (1.00) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL27796077 0.86 ITGB2 (1.00) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL11519392 0.86 ITGB2 (1.00) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL6791411 0.86 ITGB2 (1.00) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL8518 0.86 ITGB2 (1.00) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL29997436 0.86 ITGB2 (1.00) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL11399163 0.86 ITGB2 (1.00) ITGB2ICAM1ITGALSMN1; SMN2LMNA
Methyl Alcohol SCHEMBL3885106 0.83 ITGB2 (0.82) ITGB2ICAM1ITGALSMN1; SMN2LMNA
Bromomethane SCHEMBL3888151 0.83 ITGB2 (0.82) ITGB2ICAM1ITGALSMN1; SMN2LMNA
Methylamine SCHEMBL3886898 0.83 ITGB2 (0.82) ITGB2ICAM1ITGALSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8471005-B2 Pyrrolotriazines as ALK and JAK2 inhibitors CEPHALON, INC. (US) 2013-06-25 US disclosed
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2012-02-02 US disclosed
EP-2376491-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS Cephalon, Inc. (US) 2011-10-19 EP disclosed
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 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 (1 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-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS JAK2, ALK, ABL1 ITGB2 4704/4885ICAM1 3154/4885ITGAL 4840/4885

“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.