SCHEMBL519734

SCHEMBL519734

CN1C(=O)COc2cc(Nc3ncc4ccc(-c5cccnc5)n4n3)ccc21

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.57
CYP11B2 P19099 2/20 0.57
INSR P06213 4/20 0.45
ALK Q9UM73 3/20 0.45
JAK2 O60674 11/20 0.44
PTK2 Q05397 1/20 0.42
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
SYK P43405 1/20 0.41
GRM4 Q14833 1/20 0.41
EGFR P00533 1/20 0.39
CYP17A1 P05093 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP19A1 P11511 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
SCHEMBL520738 0.85 JAK2 (0.53) CYP11B1CYP11B2INSRALKJAK2
SCHEMBL521078 0.85 INSR (0.49) CYP11B1CYP11B2INSRALKJAK2
SCHEMBL520921 0.83 JAK2 (0.62) INSRALKJAK2PTK2
SCHEMBL519886 0.82 JAK2 (0.67) CYP11B1CYP11B2INSRALKJAK2
SCHEMBL521307 0.79 INSR (0.50) CYP11B1CYP11B2INSRALKJAK2
SCHEMBL2483357 0.79 INSR (0.47) INSRALKJAK2PTK2EGFR
SCHEMBL520167 0.79 JAK2 (0.66) INSRALKJAK2PTK2
SCHEMBL1119473 0.74 CYP11B1 (1.00) CYP11B1CYP11B2GABRA5CYP17A1CYP1A2
SCHEMBL519994 0.72 ALK (0.83) INSRALKJAK2
SCHEMBL520996 0.71 INSR (0.61) INSRALKJAK2PTK2

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-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 CYP11B1 2340/4885CYP11B2 2330/4885INSR 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.