SCHEMBL519588

SCHEMBL519588

c1ccc(-c2ccc3cnc(NCc4cccnc4)nn23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INSR P06213 4/20 0.49
ALK Q9UM73 3/20 0.49
JAK2 O60674 1/20 0.49
PTK2 Q05397 1/20 0.49
GPR84 Q9NQS5 1/20 0.49
LTA4H P09960 1/20 0.49
FYN P06241 2/20 0.48
VNN1 O95497 2/20 0.48
PLK1 P53350 1/20 0.46
CCNE1 P24864 1/20 0.44
CDK2 P24941 1/20 0.44
ALDH1A1 P00352 5/20 0.44
CYP1A2 P05177 5/20 0.44
CYP3A4 P08684 5/20 0.44
CYP2D6 P10635 4/20 0.44
CYP2C19 P33261 4/20 0.44
KDM4E B2RXH2 2/20 0.44
CYP2C9 P11712 2/20 0.44
GAA P10253 1/20 0.44
PDE5A O76074 1/20 0.44

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
SCHEMBL1947762 0.72 FYN (0.87) FYN
SCHEMBL13234264 0.72 FYN (0.78) INSRALKJAK2FYNMERTK
SCHEMBL519587 0.71 INSR (0.42) INSRALKJAK2PTK2FYN
SCHEMBL2120263 0.69 LTA4H (0.65) GPR84LTA4HVNN1ALDH1A1CYP1A2
SCHEMBL519422 0.68 INSR (0.59) INSRALKJAK2PTK2ALDH1A1
SCHEMBL19221988 0.68 DYRK3 (0.47) FYNCDK2ALDH1A1CYP1A2CYP3A4
SCHEMBL22190975 0.68 HDAC1 (0.61) LTA4HVNN1ALDH1A1CYP1A2CYP2D6
SCHEMBL30642394 0.67 LTA4H (1.00) GPR84LTA4HVNN1ALDH1A1CYP1A2
SCHEMBL523753 0.67 LTA4H (1.00) GPR84LTA4HVNN1ALDH1A1CYP1A2
SCHEMBL19221993 0.67 INSR (0.46) INSRALKJAK2PTK2FYN

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 1738/4885ALK 2/4885JAK2 1/4885

“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.