SCHEMBL520970

SCHEMBL520970

C[S+]([O-])c1ncc2ccc(-c3cccc(C(=O)NC(C)(C)C)c3)n2n1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FYN P06241 11/20 0.40
PDE4D Q08499 1/20 0.39
DYRK1A Q13627 6/20 0.37
DYRK2 Q92630 6/20 0.37
DYRK1B Q9Y463 6/20 0.37
DYRK3 O43781 5/20 0.37
CAMK2D Q13557 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36

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
SCHEMBL3470160 0.84 FYN (0.47) FYNPDE4DDYRK1A
SCHEMBL521339 0.82 FYN (0.41) FYNPDE4DDYRK1ADYRK2DYRK1B
SCHEMBL521326 0.80 KDM4E (0.45) FYNDYRK1ADYRK2DYRK1BDYRK3
SCHEMBL519748 0.78 JAK2 (0.56)
SCHEMBL3470162 0.77 CDK9 (0.42) FYNDYRK1ADYRK2DYRK1BDYRK3
SCHEMBL519160 0.76 DYRK3 (0.43) FYNDYRK1ADYRK2DYRK1BDYRK3
SCHEMBL521425 0.76 FYN (0.50) FYNDYRK1ADYRK2DYRK1BDYRK3
SCHEMBL520344 0.76 DYRK1A (0.45) DYRK1ADYRK2DYRK1BDYRK3CCNA2
SCHEMBL520662 0.75 INSR (0.44) FYNDYRK1ADYRK1B
SCHEMBL520240 0.75 KCNH2 (0.48) FYNDYRK1ADYRK2DYRK1BDYRK3

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 3 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

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 FYN 195/4885PDE4D 3374/4885DYRK1A 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.