SCHEMBL521268

SCHEMBL521268

CSc1ncc2ccc(-c3ccc[nH]3)n2n1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
JAK2 O60674 1/20 0.31
INSR P06213 1/20 0.31
PTK2 Q05397 1/20 0.31
ALK Q9UM73 1/20 0.31
CHEK1 O14757 1/20 0.31

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
Trifluoroacetic Acid SCHEMBL521248 0.89 KDM4E (0.31) KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL521646 0.80 JAK2 (0.38) KDM4EALDH1A1POLBMAPTHPGD
SCHEMBL519714 0.77 KDM4E (0.52) KDM4EALDH1A1POLBMAPTHPGD
SCHEMBL521927 0.73 LMNA (0.41) KDM4EALDH1A1POLBMAPTHPGD
SCHEMBL20910327 0.72 POLB (0.33) KDM4EALDH1A1POLBMAPTHPGD
SCHEMBL520259 0.72 EGLN2 (0.40) KDM4EALDH1A1POLBMAPTHPGD
SCHEMBL521590 0.72 EGLN2 (0.40) KDM4EALDH1A1POLBMAPTHPGD
SCHEMBL519978 0.72 MAPK1 (0.44) KDM4EALDH1A1POLBMAPTHPGD
SCHEMBL521486 0.72 JAK2 (0.39) KDM4EALDH1A1POLBMAPTHPGD
SCHEMBL522199 0.71 DYRK3 (0.44) KDM4EALDH1A1POLBMAPTHPGD

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 KDM4E 192/4885ALDH1A1 779/4885POLB 860/4885

“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.