SCHEMBL2744566

SCHEMBL2744566

Nc1ccnc(Nc2ccc3cc[nH]c3c2)n1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SYK P43405 4/20 0.58
SCN9A Q15858 12/20 0.52
EGFR P00533 2/20 0.50
SCN5A Q14524 9/20 0.47
KCNH2 Q12809 8/20 0.47
BTK Q06187 1/20 0.46

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
Hydrochloric Acid SCHEMBL12821486 0.99 SYK (0.57) SYKSCN9AEGFRSCN5AKCNH2
Hydrochloric Acid SCHEMBL12821490 0.87 SYK (0.57) SYKSCN9AEGFRSCN5AKCNH2
SCHEMBL31156708 0.80 SYK (0.63) SYKEGFRBTK
SCHEMBL2744987 0.79 CDC7 (0.59) SYKSCN9AEGFR
SCHEMBL29430407 0.79 CDC7 (0.59) SYKSCN9AEGFR
SCHEMBL22803906 0.79 SYK (0.63) SYKEGFRBTK
SCHEMBL12968742 0.77 MAPKAPK2 (0.58) SYKEGFR
SCHEMBL29430445 0.77 SYK (0.74) SYKEGFR
SCHEMBL2745468 0.77 SYK (0.74) SYKEGFR
Hydrochloric Acid SCHEMBL12821383 0.76 MAPKAPK2 (0.56) SYKEGFR

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-11230554-B2 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS, INC. (US) 2022-01-25 US disclosed
US-8178671-B2 Ring attached at N2 and N4 of 2,4-pyrimidinediamines; for treating rheumatoid arthritis; N4-(2,2-dimethyl-3-oxo-4H-5-pyrid[1,4]oxazin-6-yl)-5-fluoro-N2-(3,4,5-trimethoxyphenyl)-2,4-pyrimidinediamine RIGEL PHARMACEUTICALS, INC. (US) 2012-05-15 US disclosed
CN-1678321-A Methods of treating or preventing autoimmune diseases with 2, 4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS INC (US) 2005-10-05 CN 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-11230554-B2 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds SSB, TPMT, ADAR SYK 2275/4885SCN9A 4198/4885EGFR 4568/4885

“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.