SCHEMBL519494

SCHEMBL519494

CC(C)Oc1cccc(-c2ccc3cnc(O)nn23)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.42
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GSK3B P49841 1/20 0.39
FYN P06241 3/20 0.38
TGFBR1 P36897 1/20 0.38
ACVR1 Q04771 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
WDR5 P61964 1/20 0.37
JAK2 O60674 1/20 0.37
INSR P06213 1/20 0.37
PTK2 Q05397 1/20 0.37
ALK Q9UM73 1/20 0.37
MAP4K4 O95819 1/20 0.37
HSD17B1 P14061 1/20 0.37

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
SCHEMBL19221993 0.75 INSR (0.46) GSK3BFYNJAK2INSRPTK2
SCHEMBL19221988 0.71 DYRK3 (0.47) FYN
SCHEMBL520134 0.69 JAK2 (0.60) JAK2PTK2
SCHEMBL24460284 0.69 FYN (0.61) FYN
SCHEMBL522035 0.67 JAK2 (0.39) JAK2INSRPTK2ALK
SCHEMBL24460282 0.67 FYN (0.63) FYN
SCHEMBL519921 0.66 JAK2 (0.59) JAK2INSRALK
SCHEMBL520783 0.65 JAK2 (0.52) JAK2INSRPTK2ALK
SCHEMBL8524895 0.65 RXRA (0.69) RXRARXRBGABRA1GABRG2GABRB3
SCHEMBL8469211 0.64 RXRA (0.72) RXRARXRBGABRA1GABRG2GABRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2376491-B1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON INC (US) 2015-03-04 EP disclosed
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 PDE4D 3374/4885RXRA 2673/4885RXRB 2389/4885

“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.