SCHEMBL521023

SCHEMBL521023

Cc1cc(-c2ccc3cnc(Nc4ccc(N5CCOCC5)cc4)nn23)cnc1F

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
INSR P06213 7/20 0.69
JAK2 O60674 11/20 0.60
ALK Q9UM73 7/20 0.57
CYP3A4 P08684 2/20 0.49
SYK P43405 1/20 0.47
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
NPM1 P06748 1/20 0.46
CDK2 P24941 1/20 0.44
KCNH2 Q12809 1/20 0.44
JAK3 P52333 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
SCHEMBL520948 0.91 ALK (0.71) INSRJAK2ALKCYP3A4NPM1
SCHEMBL520176 0.82 INSR (1.00) INSRJAK2ALKCYP3A4NPM1
SCHEMBL2506190 0.81 INSR (0.64) INSRJAK2ALKSYKJAK3
SCHEMBL520845 0.81 INSR (0.75) INSRJAK2ALKCYP3A4NPM1
SCHEMBL15048631 0.81 INSR (0.44) INSRJAK2ALKNPM1KCNH2
SCHEMBL519278 0.81 INSR (0.82) INSRJAK2ALKCYP3A4SYK
SCHEMBL519484 0.81 INSR (0.74) INSRJAK2ALKCYP3A4SYK
SCHEMBL519785 0.81 INSR (0.74) INSRJAK2ALKCYP3A4
SCHEMBL521440 0.80 JAK2 (0.82) INSRJAK2ALKCYP3A4NPM1
SCHEMBL3467110 0.80 INSR (0.79) INSRJAK2ALKCYP3A4SYK

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 8 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
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 1/4885ALK 2/4885

“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.