SCHEMBL4286551

SCHEMBL4286551

Cc1cc(Nc2nccc(-c3ccc(NC(N)CS(=O)(=O)C4CC4)nc3)n2)ccc1N1C[C@@H]2C[C@H]1CN2C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 1/20 0.39
EGFR P00533 3/20 0.38
JAK2 O60674 7/20 0.37
JAK1 P23458 3/20 0.37
BTK Q06187 6/20 0.36
BRD4 O60885 2/20 0.36
CDK9 P50750 2/20 0.36
JAK3 P52333 4/20 0.35
CYP3A4 P08684 1/20 0.35
HRH2 P25021 1/20 0.35
CDK7 P50613 1/20 0.35
CD69 Q07108 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
MAP3K19 Q56UN5 1/20 0.35
CDKL2 Q92772 1/20 0.35
RIOK1 Q9BRS2 1/20 0.35
RIOK2 Q9BVS4 1/20 0.35
BMP2K Q9NSY1 1/20 0.35
TYK2 P29597 1/20 0.35
FGFR4 P22455 1/20 0.34

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
SCHEMBL4279031 0.89 STK17A (0.43) EGFRBTK
SCHEMBL4286550 0.86 PAK1 (0.39) PAK1EGFRJAK2JAK1BTK
SCHEMBL4288730 0.83 EGFR (0.40) PAK1EGFRJAK2JAK1BTK
SCHEMBL4286546 0.83 EGFR (0.40) PAK1EGFRJAK2JAK1BTK
SCHEMBL4289496 0.83 JAK2 (0.43) PAK1EGFRJAK2JAK1JAK3
SCHEMBL4277090 0.83 JAK2 (0.43) PAK1EGFRJAK2JAK1JAK3
SCHEMBL4290703 0.81 EGFR (0.42) PAK1EGFRJAK2JAK1BTK
SCHEMBL4281774 0.81 EGFR (0.42) PAK1EGFRJAK2JAK1BTK
SCHEMBL4282357 0.81 EGFR (0.44) PAK1EGFRJAK2JAK1BTK
SCHEMBL4281832 0.81 EGFR (0.44) PAK1EGFRJAK2JAK1BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309566-B2 Pyrimidine-2-amine compounds and their use as inhibitors of JAK kinases RIGEL PHARMACEUTICALS, INC. (US) 2012-11-13 US disclosed
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES RIGEL PHARMACEUTICALS, INC. (US) 2009-10-15 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 (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-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 PAK1 458/4885EGFR 501/4885JAK2 1/4885

“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.