SCHEMBL521238

SCHEMBL521238

CCOC(=O)c1cccc(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 12/20 0.60
PTK2 Q05397 4/20 0.59
SYK P43405 1/20 0.46
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
JAK1 P23458 4/20 0.43
HDAC1 Q13547 3/20 0.43
BRD4 O60885 1/20 0.43
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
INSR P06213 1/20 0.40
ALK Q9UM73 1/20 0.40
TYK2 P29597 2/20 0.40
FGFR1 P11362 1/20 0.40
HDAC3 O15379 1/20 0.40
JAK3 P52333 1/20 0.40

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
SCHEMBL521822 0.89 JAK2 (0.65) JAK2PTK2SYKJAK1HDAC1
SCHEMBL521370 0.88 JAK2 (0.65) JAK2PTK2SYKJAK1HDAC1
SCHEMBL521299 0.87 JAK2 (0.64) JAK2PTK2JAK1HDAC1BRD4
SCHEMBL2512240 0.85 JAK2 (0.61) JAK2PTK2SYKJAK1HDAC1
SCHEMBL521509 0.84 JAK2 (0.65) JAK2PTK2SYKJAK1HDAC1
SCHEMBL16530281 0.83 JAK2 (0.56) JAK2PTK2JAK1HDAC1BRD4
SCHEMBL520031 0.83 JAK2 (0.69) JAK2PTK2JAK1HDAC1BRD4
SCHEMBL520496 0.83 JAK2 (0.72) JAK2PTK2JAK1BRD4INSR
SCHEMBL521750 0.83 JAK2 (0.66) JAK2PTK2SYKJAK1BRD4
SCHEMBL521605 0.82 JAK2 (0.64) JAK2PTK2SMN1; SMN2BRD4INSR

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 claimed
US-8471005-B2 Pyrrolotriazines as ALK and JAK2 inhibitors CEPHALON, INC. (US) 2013-06-25 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

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 592/4885SYK 86/4885

“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.