SCHEMBL522254

SCHEMBL522254

CC1(C)C(=O)Nc2cc(Nc3ncc4ccc(-c5ccccn5)n4n3)ccc21

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MARK3 P27448 1/20 0.41
JAK2 O60674 12/20 0.41
TNF P01375 1/20 0.41
INSR P06213 6/20 0.41
ALK Q9UM73 6/20 0.41
PTK2 Q05397 2/20 0.41
LCK P06239 1/20 0.39
BRAF P15056 1/20 0.39
KDR P35968 1/20 0.39
MAPK14 Q16539 1/20 0.39
CYP3A4 P08684 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
SCHEMBL520033 0.84 JAK2 (0.62) JAK2INSRALKPTK2CYP3A4
SCHEMBL519827 0.80 JAK2 (0.56) JAK2TNFINSRALKPTK2
SCHEMBL520770 0.79 JAK2 (0.62) JAK2TNFINSRALKPTK2
SCHEMBL522133 0.78 JAK2 (0.45) JAK2INSRALKPTK2CYP3A4
SCHEMBL521330 0.78 INSR (0.44) JAK2INSRALKPTK2
SCHEMBL2507332 0.78 JAK2 (0.45) JAK2INSRALKPTK2CYP3A4
SCHEMBL521329 0.77 INSR (0.43) MARK3JAK2INSRALKPTK2
SCHEMBL520903 0.75 CDK1 (0.46) JAK2INSRALKPTK2
SCHEMBL520298 0.73 JAK2 (0.60) JAK2INSRALKPTK2CYP3A4
SCHEMBL520303 0.72 JAK2 (0.44) JAK2INSRALKPTK2CYP3A4

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 MARK3 1217/4885JAK2 1/4885TNF 1622/4885

“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.