SCHEMBL520195

SCHEMBL520195

COCCOc1ncc2ccc(-c3cccc(Cl)c3)n2n1.C[S+]([O-])c1ncc2ccc(-c3cccc(Cl)c3)n2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.37
DYRK3 O43781 3/20 0.35
DYRK1A Q13627 3/20 0.35
DYRK2 Q92630 3/20 0.35
DYRK1B Q9Y463 3/20 0.35
INSR P06213 2/20 0.35
ALK Q9UM73 2/20 0.35
CCNT1 O60563 2/20 0.34
CDK9 P50750 2/20 0.34
CDK5 Q00535 2/20 0.34
CDK5R1 Q15078 2/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
EGLN2 Q96KS0 1/20 0.33
PIM1 P11309 2/20 0.33
JAK2 O60674 1/20 0.33
PTK2 Q05397 1/20 0.33
CYP1A2 P05177 4/20 0.33
CYP3A4 P08684 4/20 0.33
ALDH1A1 P00352 3/20 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
SCHEMBL519825 0.90 MALT1 (0.42) MALT1DYRK3DYRK1ADYRK2DYRK1B
SCHEMBL519160 0.87 DYRK3 (0.43) DYRK3DYRK1ADYRK2DYRK1BINSR
SCHEMBL521133 0.78 INSR (0.40) INSRALKEGLN2PIM1JAK2
SCHEMBL3470162 0.75 CDK9 (0.42) DYRK3DYRK1ADYRK2DYRK1BINSR
SCHEMBL522559 0.74 JAK2 (0.44) INSRALKJAK2CYP3A4
SCHEMBL520662 0.73 INSR (0.44) DYRK1ADYRK1BINSRALKCDK9
SCHEMBL518861 0.72 JAK2 (0.40) INSRALKJAK2PTK2CYP3A4
SCHEMBL15048632 0.72 JAK2 (0.36) INSRALKEGLN2JAK2PTK2
SCHEMBL520344 0.71 DYRK1A (0.45) DYRK3DYRK1ADYRK2DYRK1BINSR
SCHEMBL519979 0.71 JAK2 (0.41) INSRALKJAK2PTK2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MALT1 308/4885DYRK3 1684/4885DYRK1A 1395/4885

“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.