SCHEMBL525945

SCHEMBL525945

CC(C)c1ccc(CC(N)=O)cc1Nc1ncc2ccc(-c3cccnc3)n2n1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.46
JAK2 O60674 14/20 0.43
PTK2 Q05397 12/20 0.43
ALK Q9UM73 6/20 0.40
INSR P06213 5/20 0.40
NPM1 P06748 2/20 0.40

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
SCHEMBL526219 0.86 EGFR (0.46) EGFRJAK2PTK2ALKINSR
SCHEMBL525944 0.85 JAK2 (0.44) EGFRJAK2PTK2ALKINSR
SCHEMBL519657 0.80 EGFR (0.46) EGFRJAK2PTK2ALKINSR
SCHEMBL526218 0.76 JAK2 (0.46) EGFRJAK2PTK2ALKINSR
SCHEMBL520794 0.68 DYRK3 (0.47) EGFRJAK2PTK2ALKINSR
SCHEMBL519570 0.68 EGFR (0.46) EGFRJAK2PTK2ALKINSR
SCHEMBL520837 0.66 ALK (0.59) JAK2ALKINSR
SCHEMBL16530860 0.66 JAK2 (0.51) JAK2PTK2ALKINSR
SCHEMBL519764 0.66 INSR (0.52) JAK2ALKINSR
SCHEMBL519982 0.65 JAK2 (0.47) EGFRJAK2PTK2ALKINSR

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 EGFR 1187/4885JAK2 1/4885PTK2 592/4885

“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.