SCHEMBL518628

SCHEMBL518628

c1ccc2c(c1)cc1cnc(Nc3ccc(N4CCOCC4)cc3)nn12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INSR P06213 2/20 0.64
JAK2 O60674 4/20 0.57
IGF1R P08069 3/20 0.53
SYK P43405 1/20 0.51
JAK3 P52333 1/20 0.51
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
PLK4 O00444 1/20 0.50
ALK Q9UM73 1/20 0.49
CCNK O75909 1/20 0.48
CCNA2 P20248 1/20 0.48
CDK2 P24941 1/20 0.48
CCND3 P30281 1/20 0.48
CDK9 P50750 1/20 0.48
CDK6 Q00534 1/20 0.48
STAT6 P42226 2/20 0.48
PKMYT1 Q99640 1/20 0.48
AURKA O14965 1/20 0.48
AURKB Q96GD4 1/20 0.48

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
SCHEMBL519907 0.88 ALK (0.64) INSRJAK2ALKCCNKCCNA2
SCHEMBL520219 0.83 JAK2 (0.57) INSRJAK2TP53MAPTMAPK1
SCHEMBL519952 0.83 INSR (0.64) INSRJAK2IGF1RALK
SCHEMBL519559 0.82 PLK1 (0.52) INSRJAK2IGF1RSYKJAK3
SCHEMBL519945 0.81 ALK (0.54) INSRJAK2IGF1RJAK3ALK
SCHEMBL520926 0.80 PLK1 (0.42) INSRJAK2IGF1RTP53MAPT
SCHEMBL520845 0.78 INSR (0.75) INSRJAK2IGF1RJAK3ALK
SCHEMBL520176 0.78 INSR (1.00) INSRJAK2IGF1RJAK3PLK4
SCHEMBL519923 0.77 INSR (0.69) INSRJAK2IGF1RSYKTP53
SCHEMBL519515 0.77 PLK1 (0.58) INSRJAK2IGF1RSYKALK

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 10 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-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS Cephalon, Inc. (US) 2011-10-19 EP claimed
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 WO 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 INSR 1738/4885JAK2 1/4885IGF1R 1028/4885

“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.