SCHEMBL520662

SCHEMBL520662

C[S+]([O-])c1ncc2ccc(-c3ccccc3)n2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INSR P06213 4/20 0.44
ALK Q9UM73 3/20 0.44
JAK2 O60674 3/20 0.44
PTK2 Q05397 1/20 0.44
NTRK1 P04629 3/20 0.38
PIM1 P11309 3/20 0.38
AURKA O14965 1/20 0.38
DAPK3 O43293 1/20 0.38
MAP4K4 O95819 1/20 0.38
ABL1 P00519 1/20 0.38
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
PDGFRB P09619 1/20 0.38
PRKACA P17612 1/20 0.38
LTK P29376 1/20 0.38
KDR P35968 1/20 0.38
MAP2K2 P36507 1/20 0.38
FLT3 P36888 1/20 0.38
MAPK8 P45983 1/20 0.38
CDK8 P49336 1/20 0.38

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
SCHEMBL3470162 0.85 CDK9 (0.42) INSRALKJAK2PTK2NTRK1
SCHEMBL519725 0.82 JAK2 (0.42) JAK2PTK2
SCHEMBL521052 0.82 JAK2 (0.38) INSRALKJAK2PTK2CYP3A4
SCHEMBL520344 0.81 DYRK1A (0.45) INSRALKJAK2PTK2CDK8
SCHEMBL519792 0.81 FYN (0.40) INSRALKFYNLRRK2
SCHEMBL521474 0.81 EGLN2 (0.39) INSRALKJAK2PIM1CYP3A4
SCHEMBL521518 0.81 EGLN2 (0.39) INSRALKJAK2PIM1CYP1A2
SCHEMBL520010 0.81 FYN (0.40) INSRALKJAK2FYNCYP3A4
SCHEMBL520240 0.80 KCNH2 (0.48) JAK2PTK2FYNCDK9DYRK1A
SCHEMBL519194 0.80 JAK2 (0.55) INSRALKJAK2CYP3A4

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 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.