SCHEMBL520004

SCHEMBL520004

Fc1cccc(-c2ccc3cnc(Nc4cccc(N5CCOCC5)c4)nn23)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 9/20 0.66
INSR P06213 3/20 0.66
ALK Q9UM73 2/20 0.52
NTRK1 P04629 2/20 0.52
CCNT1 O60563 2/20 0.52
CDK2 P24941 2/20 0.52
CDK9 P50750 2/20 0.52
CCNE1 P24864 1/20 0.52
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
RIPK2 O43353 1/20 0.46
NPM1 P06748 1/20 0.46
CDK1 P06493 1/20 0.45
CCNB1 P14635 1/20 0.45
CCNA2 P20248 1/20 0.45
CDK7 P50613 1/20 0.45
CCNH P51946 1/20 0.45
CCNA1 P78396 1/20 0.45

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
SCHEMBL519524 0.89 JAK2 (0.66) JAK2INSRALKNTRK1CCNT1
SCHEMBL521344 0.88 JAK2 (0.68) JAK2INSRALKHDAC3HDAC1
SCHEMBL520642 0.88 JAK2 (0.67) JAK2INSRALKCCNT1CDK2
SCHEMBL521314 0.86 JAK2 (0.63) JAK2INSRALKNTRK1CCNT1
SCHEMBL519463 0.86 JAK2 (0.65) JAK2INSRALKNTRK1CCNT1
SCHEMBL520422 0.85 JAK2 (0.65) JAK2INSRALKHDAC3HDAC1
SCHEMBL520784 0.85 JAK2 (0.64) JAK2INSRALKHDAC3HDAC1
SCHEMBL520137 0.84 JAK2 (0.68) JAK2INSRALKCCNT1CDK2
SCHEMBL519606 0.84 JAK2 (0.60) JAK2INSRALKCCNT1CDK2
SCHEMBL3467110 0.83 INSR (0.79) JAK2INSRALKNPM1JAK3

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 JAK2 1/4885INSR 1738/4885ALK 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.