SCHEMBL519216

SCHEMBL519216

c1cncc(-c2ccc3cnc(Nc4ccc(N5CCC(N6CCOCC6)CC5)cc4)nn23)c1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
INSR P06213 7/20 0.68
ALK Q9UM73 7/20 0.57
JAK2 O60674 7/20 0.55
NPM1 P06748 2/20 0.49
ACVR1 Q04771 3/20 0.47
CYP3A4 P08684 3/20 0.47
AURKA O14965 1/20 0.46
JAK3 P52333 1/20 0.46
PTK2 Q05397 1/20 0.46
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP1A2 P05177 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
SCHEMBL519702 0.91 INSR (0.82) INSRALKJAK2ACVR1CYP3A4
SCHEMBL519163 0.90 ALK (0.69) INSRALKJAK2NPM1ACVR1
SCHEMBL520433 0.90 INSR (0.61) INSRALKJAK2NPM1ACVR1
SCHEMBL521467 0.87 ALK (0.67) INSRALKJAK2NPM1
SCHEMBL519676 0.87 INSR (0.65) INSRALKJAK2NPM1CYP3A4
SCHEMBL521681 0.85 INSR (0.62) INSRALKJAK2NPM1CYP3A4
SCHEMBL519085 0.84 INSR (0.60) INSRALKJAK2CYP3A4PTK2
SCHEMBL520257 0.83 INSR (0.59) INSRALKJAK2NPM1CYP3A4
SCHEMBL519994 0.82 ALK (0.83) INSRALKJAK2NPM1ACVR1
SCHEMBL519860 0.82 JAK2 (0.83) INSRALKJAK2NPM1CYP3A4

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 10 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
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.