SCHEMBL4279031

SCHEMBL4279031

Cc1cc(Nc2nccc(-c3ccc(NC(N)CS(=O)(=O)C4CC4)nc3)n2)ccc1N1C[C@@H]2C[C@H]1CO2

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
STK17A Q9UEE5 2/20 0.43
MYLK4 Q86YV6 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
MAP3K12 Q12852 13/20 0.37
EGFR P00533 2/20 0.37
SYK P43405 1/20 0.35
CDK4 P11802 1/20 0.35
CDK2 P24941 1/20 0.35
BTK Q06187 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
SCHEMBL4286551 0.89 PAK1 (0.39) EGFRBTK
SCHEMBL4279026 0.87 STK17A (0.42) STK17AMYLK4CLK4MAP3K12EGFR
SCHEMBL4279933 0.84 STK17A (0.43) STK17AMYLK4CLK4MAP3K12EGFR
SCHEMBL4279022 0.84 STK17A (0.43) STK17AMYLK4CLK4MAP3K12EGFR
SCHEMBL4281898 0.82 STK17A (0.45) STK17AMYLK4CLK4MAP3K12EGFR
SCHEMBL4280962 0.82 STK17A (0.45) STK17AMYLK4CLK4MAP3K12EGFR
SCHEMBL4284312 0.81 STK17A (0.48) STK17AMYLK4CLK4SYK
SCHEMBL4281316 0.81 STK17A (0.48) STK17AMYLK4CLK4SYK
SCHEMBL4276690 0.80 STK17A (0.48) STK17AMYLK4CLK4MAP3K12SYK
SCHEMBL4286106 0.80 STK17A (0.48) STK17AMYLK4CLK4MAP3K12SYK

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 STK17A 229/4885MYLK4 1872/4885CLK4 689/4885

“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.