SCHEMBL521377

SCHEMBL521377

CC(=O)Nc1ccccc1-c1ccc2cnc([S+](C)[O-])nn12

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.41
ALDH1A1 P00352 3/20 0.39
INSR P06213 3/20 0.36
ALK Q9UM73 3/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
JAK2 O60674 3/20 0.35
MAOA P21397 1/20 0.34
PARP14 Q460N5 3/20 0.34
NPM1 P06748 1/20 0.34
HPGD P15428 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
FYN P06241 2/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL2498821 0.81 ALK (0.43) ABCG2ALDH1A1INSRALKSMN1; SMN2
SCHEMBL520010 0.80 FYN (0.40) ALDH1A1INSRALKKDM4EJAK2
SCHEMBL519998 0.80 ABCG2 (0.40) ABCG2ALDH1A1INSRALKKDM4E
SCHEMBL521518 0.77 EGLN2 (0.39) ALDH1A1INSRALKKDM4EJAK2
SCHEMBL520246 0.76 ALK (0.51) INSRALKJAK2NPM1CYP3A4
SCHEMBL520959 0.75 JAK2 (0.43) INSRALKKDM4EJAK2NPM1
SCHEMBL521204 0.74 JAK2 (0.44) INSRALKJAK2NPM1CYP3A4
SCHEMBL526557 0.73 JAK2 (0.38) INSRALKJAK2CYP3A4
SCHEMBL519693 0.72 ALK (0.53) INSRALKJAK2NPM1CYP3A4
SCHEMBL526559 0.72 JAK2 (0.37) 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 ABCG2 2651/4885ALDH1A1 779/4885INSR 1738/4885

“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.