SCHEMBL521649

SCHEMBL521649

COCC(C)Oc1cccc(Nc2ncc3ccc(-c4cccn4CCC#N)n3n2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 10/20 0.41
CYP3A4 P08684 9/20 0.40
CYP1A2 P05177 7/20 0.40
MAPK1 P28482 2/20 0.40
CLK4 Q9HAZ1 2/20 0.40
INSR P06213 3/20 0.40
ALK Q9UM73 3/20 0.40
MEN1 O00255 7/20 0.38
USP2 O75604 7/20 0.38
CASP1 P29466 7/20 0.38
CASP7 P55210 7/20 0.38
KMT2A Q03164 7/20 0.38
HBB P68871 4/20 0.37
CYP2C9 P11712 1/20 0.37
GCK P35557 1/20 0.37
TSHR P16473 4/20 0.37
PTK2 Q05397 1/20 0.37
BRCA1 P38398 2/20 0.35
HIF1A Q16665 2/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL521363 0.80 MAP3K5 (0.41) JAK2INSRALK
SCHEMBL521231 0.73 JAK2 (0.42) JAK2CYP3A4INSRALKMEN1
SCHEMBL520150 0.71 INSR (0.62) JAK2CYP3A4INSRALK
SCHEMBL522023 0.66
SCHEMBL518831 0.65 JAK2 (0.80) JAK2CYP3A4INSRALKPTK2
SCHEMBL519729 0.63 JAK2 (0.56) JAK2CYP3A4INSRALKPTK2
SCHEMBL521109 0.62 ALK (0.75) JAK2INSRALKPTK2
SCHEMBL522329 0.62 JAK2 (0.61) JAK2CYP3A4INSRALK
SCHEMBL519808 0.62 JAK2 (0.66) JAK2CYP3A4INSRALKPTK2
SCHEMBL521989 0.61 JAK2 (0.56) JAK2CYP3A4INSRALKPTK2

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
EP-2376491-B1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON INC (US) 2015-03-04 EP claimed
US-8471005-B2 Pyrrolotriazines as ALK and JAK2 inhibitors CEPHALON, INC. (US) 2013-06-25 US claimed
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2012-02-02 US claimed
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 JAK2 1/4885CYP3A4 1768/4885CYP1A2 1812/4885

“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.