SCHEMBL521644

SCHEMBL521644

CN(C)CC(=O)Nc1cccc(Nc2ncc3ccc(-c4cccc(S(=O)(=O)NC(C)(C)C)c4)n3n2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 14/20 0.60
PTK2 Q05397 5/20 0.59
CCNT1 O60563 1/20 0.42
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42
CDK9 P50750 1/20 0.42
BRAF P15056 2/20 0.41
JAK1 P23458 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC3 O15379 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39

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
SCHEMBL521509 0.89 JAK2 (0.65) JAK2PTK2CCNT1CDK2CDK9
SCHEMBL521164 0.87 JAK2 (0.51) JAK2PTK2CCNT1CCNE1CDK2
SCHEMBL521936 0.87 JAK2 (0.64) JAK2PTK2JAK1HDAC1JAK3
SCHEMBL520452 0.85 JAK2 (0.67) JAK2PTK2JAK1JAK3BRD4
SCHEMBL521822 0.84 JAK2 (0.65) JAK2PTK2JAK1HDAC1BRD4
SCHEMBL520576 0.83 JAK2 (0.67) JAK2PTK2JAK1JAK3BRD4
SCHEMBL520031 0.83 JAK2 (0.69) JAK2PTK2JAK1HDAC1JAK3
SCHEMBL521370 0.83 JAK2 (0.65) JAK2PTK2JAK1HDAC1BRD4
SCHEMBL521299 0.82 JAK2 (0.64) JAK2PTK2JAK1HDAC1JAK3
SCHEMBL520318 0.82 JAK2 (0.66) JAK2PTK2JAK1JAK3BRD4

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 3 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

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 1/4885PTK2 592/4885CCNT1 72/4885

“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.