SCHEMBL519830

SCHEMBL519830

Brc1ccc2cnc(Nc3cccc(N4CCOCC4)c3)nn12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.66
HDAC3 O15379 1/20 0.62
HDAC1 Q13547 1/20 0.62
HDAC2 Q92769 1/20 0.62
HDAC6 Q9UBN7 1/20 0.62
INSR P06213 1/20 0.57
CDK2 P24941 5/20 0.53
CCNT1 O60563 4/20 0.53
CDK9 P50750 4/20 0.53
CCNE1 P24864 1/20 0.53
IGF1R P08069 1/20 0.47
CCNA2 P20248 4/20 0.47
CDK4 P11802 1/20 0.47
CCND3 P30281 1/20 0.47
CDK6 Q00534 1/20 0.47
RIPK2 O43353 2/20 0.47
NTRK1 P04629 1/20 0.46
JAK1 P23458 1/20 0.46
JAK3 P52333 1/20 0.46
PLK4 O00444 1/20 0.46

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
SCHEMBL520723 0.91 JAK2 (0.59) JAK2HDAC3HDAC1HDAC2HDAC6
SCHEMBL519923 0.88 INSR (0.69) JAK2INSRIGF1RCDK4PLK4
SCHEMBL520611 0.87 JAK2 (0.67) JAK2INSRCDK2JAK1JAK3
SCHEMBL520642 0.82 JAK2 (0.67) JAK2HDAC3HDAC1HDAC2HDAC6
SCHEMBL519524 0.81 JAK2 (0.66) JAK2HDAC3HDAC1HDAC2HDAC6
SCHEMBL520004 0.81 JAK2 (0.66) JAK2HDAC3HDAC1HDAC2HDAC6
SCHEMBL519463 0.80 JAK2 (0.65) JAK2HDAC3HDAC1HDAC2HDAC6
SCHEMBL520137 0.80 JAK2 (0.68) JAK2HDAC3HDAC1HDAC2HDAC6
SCHEMBL521344 0.80 JAK2 (0.68) JAK2HDAC3HDAC1HDAC2HDAC6
SCHEMBL520616 0.80 INSR (0.53) JAK2INSRIGF1RJAK1JAK3

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 JAK2 1/4885HDAC3 841/4885HDAC1 811/4885

“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.