SCHEMBL520890

SCHEMBL520890

C[S+]([O-])c1ncc2ccc(-c3ccccc3C(F)(F)F)n2n1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 8/20 0.37
CYP3A4 P08684 6/20 0.36
CYP1A2 P05177 5/20 0.36
CYP2C19 P33261 4/20 0.36
CYP2D6 P10635 3/20 0.36
JAK2 O60674 3/20 0.35
ALDH1A1 P00352 2/20 0.34
ALOX15 P16050 2/20 0.34
MAPK1 P28482 2/20 0.34
HSD17B10 Q99714 2/20 0.34
NPFFR1 Q9GZQ6 1/20 0.33
NPFFR2 Q9Y5X5 1/20 0.33
TRPA1 O75762 1/20 0.33
TSHR P16473 1/20 0.32
HIF1A Q16665 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL521474 0.84 EGLN2 (0.39) CYP3A4JAK2
SCHEMBL521834 0.82 JAK2 (0.43) HSD11B1CYP3A4JAK2
SCHEMBL521052 0.82 JAK2 (0.38) CYP3A4JAK2
SCHEMBL520010 0.81 FYN (0.40) CYP3A4JAK2ALDH1A1
SCHEMBL521518 0.81 EGLN2 (0.39) HSD11B1CYP3A4CYP1A2CYP2D6JAK2
SCHEMBL519194 0.80 JAK2 (0.55) CYP3A4JAK2
SCHEMBL520482 0.78 ALK (0.38) CYP3A4JAK2
SCHEMBL520662 0.78 INSR (0.44) CYP3A4CYP1A2CYP2D6JAK2ALDH1A1
SCHEMBL521852 0.78 AURKA (0.42) HSD11B1CYP3A4CYP1A2CYP2C19CYP2D6
SCHEMBL521204 0.77 JAK2 (0.44) CYP3A4JAK2

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 HSD11B1 2463/4885CYP3A4 1768/4885CYP1A2 1812/4885

“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.