SCHEMBL521391

SCHEMBL521391

COc1ccc(-c2cc(Cl)c3cnc(S(C)(=O)=O)nn23)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.41
KCNH2 Q12809 2/20 0.41
FYN P06241 3/20 0.39
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
TNF P01375 1/20 0.37
JAK2 O60674 1/20 0.36
KDR P35968 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36
GRM2 Q14416 1/20 0.36
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
ALPL P05186 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
MEN1 O00255 1/20 0.35
PABPC1 P11940 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL522580 0.81 FYN (0.44) ACLYFYNJAK2KDRPRKAG1
SCHEMBL520376 0.79 ADORA2A (0.42) ACLYFYNJAK2KDRPRKAG1
SCHEMBL19221955 0.66 PTGS2 (0.43) FYNPTGS1PTGS2CA1CA2
SCHEMBL14934093 0.63 PIK3CA (0.52) FYNPRKAG1PRKAA1PRKAB1GRM2
SCHEMBL13234221 0.63 FYN (0.68) FYNKDR
SCHEMBL2509986 0.63 JAK2 (0.47) KCNH2FYNPTGS1PTGS2TNF
SCHEMBL24156259 0.62 LMNA (0.45) KCNH2CA1CA2MEN1KMT2A
SCHEMBL31674531 0.62 LMNA (0.45) KCNH2CA1CA2MEN1KMT2A
SCHEMBL31174412 0.62 CYP2A6 (0.68) FYNPDGFRBPDGFRACA1CA2
SCHEMBL3754419 0.62 CYP2A6 (0.68) FYNPDGFRBPDGFRACA1CA2

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 ACLY 3717/4885KCNH2 389/4885FYN 195/4885

“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.