SCHEMBL521447

SCHEMBL521447

CSc1ncc2ccc(-c3cccc(S(=O)(=O)Cl)c3)n2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 12/20 0.41
PTK2 Q05397 5/20 0.40
KCNH2 Q12809 3/20 0.40
INSR P06213 1/20 0.36
ALK Q9UM73 1/20 0.36
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HSD17B10 Q99714 1/20 0.33
DYRK3 O43781 1/20 0.33
CCNT1 O60563 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CDK9 P50750 1/20 0.33
CDK5 Q00535 1/20 0.33

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
Nitrous Acid SCHEMBL521356 0.94 JAK2 (0.38) JAK2PTK2KCNH2INSRALK
SCHEMBL522170 0.88 JAK2 (0.41) JAK2PTK2KCNH2INSRALK
SCHEMBL520795 0.85 JAK2 (0.58) JAK2PTK2KCNH2INSRALK
SCHEMBL521256 0.83 JAK2 (0.43) JAK2PTK2KCNH2INSRALK
SCHEMBL520494 0.83 DYRK3 (0.45) JAK2PTK2INSRALKKDM4E
SCHEMBL522199 0.81 DYRK3 (0.44) JAK2PTK2INSRALKKDM4E
SCHEMBL521920 0.81 JAK2 (0.51) JAK2PTK2KDM4EALDH1A1SMN1; SMN2
SCHEMBL16530364 0.80 JAK2 (0.37) JAK2PTK2INSRALKKDM4E
SCHEMBL519714 0.79 KDM4E (0.52) JAK2PTK2INSRALKKDM4E
SCHEMBL521842 0.79 JAK2 (0.42) JAK2PTK2KDM4EALDH1A1HPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 592/4885KCNH2 389/4885

“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.