SCHEMBL3309911

SCHEMBL3309911

N#Cc1ccc(Nc2nc3cccc(NC4CCCN(C(=O)O)C4)n3n2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.43
▸ EGFR P00533 4/20 0.40
▸ BTK Q06187 3/20 0.40
▸ ITK Q08881 1/20 0.40
▸ PDE4A P27815 2/20 0.40
▸ PDE4B Q07343 2/20 0.40
▸ PDE4C Q08493 2/20 0.40
▸ PDE4D Q08499 2/20 0.40
▸ GFER P55789 1/20 0.38
▸ JAK3 P52333 2/20 0.38
▸ ATM Q13315 1/20 0.38
▸ KDM1A O60341 3/20 0.38
▸ BMX P51813 1/20 0.37
▸ CSNK2A1 P68400 1/20 0.37

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
SCHEMBL3305295 0.89 JAK2 (0.46) KMT2AEGFRBTKITKJAK3
SCHEMBL3305298 0.89 JAK2 (0.46) KMT2AEGFRBTKITKJAK3
SCHEMBL3297909 0.88 EGLN2 (0.42) KMT2AEGFRITKJAK3KDM1A
SCHEMBL3300220 0.81 CDK2 (0.46) —
SCHEMBL3300233 0.81 CDK2 (0.46) —
SCHEMBL13504387 0.81 JAK2 (0.36) EGFRBTKPDE4APDE4BPDE4C
SCHEMBL13504391 0.81 JAK2 (0.36) EGFRBTKPDE4APDE4BPDE4C
SCHEMBL13504459 0.76 JAK2 (0.51) BTKJAK3KDM1A
SCHEMBL13504460 0.76 JAK2 (0.51) BTKJAK3KDM1A
SCHEMBL3300486 0.75 KMT2A (0.38) KMT2AEGFRITKGFERJAK3

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
US-20130005707-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BAHMANYAR SOGOLE (US) 2013-01-03 — — US disclosed
US-8299056-B2 Aminotriazolopyridines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2012-10-30 — — US disclosed
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2010-04-15 — — 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 (2 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-20130005707-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 KMT2A 569/4885EGFR 1584/4885BTK 439/4885
US-20100093698-A1 AMINOTRIAZOLOPYRIDINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH MAP3K2, MAP3K1, MAP3K3 KMT2A 569/4885EGFR 1584/4885BTK 439/4885

“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.

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