SCHEMBL13248985

SCHEMBL13248985

C=Nc1cnc(Nc2ccc(N3CCN(S(C)(=O)=O)CC3)c(C#N)c2)nc1NC1CC(C)(C)N(C)C(C)(C)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 8/20 0.42
JAK2 O60674 5/20 0.42
JAK1 P23458 3/20 0.42
JAK3 P52333 2/20 0.42
BRD4 O60885 3/20 0.40
BRD2 P25440 1/20 0.40
BRD3 Q15059 1/20 0.40
BRDT Q58F21 1/20 0.40
SLC2A1 P11166 1/20 0.38
PAK1 Q13153 1/20 0.38
PKMYT1 Q99640 2/20 0.38
TTK P33981 1/20 0.37
RET P07949 1/20 0.37
KIF5B P33176 1/20 0.37
KDR P35968 1/20 0.37
ETV6 P41212 1/20 0.37
KCNH2 Q12809 1/20 0.37
CCDC6 Q16204 1/20 0.37
TBK1 Q9UHD2 1/20 0.37
PRKCQ Q04759 1/20 0.36

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
SCHEMBL3495839 0.92 SYK (0.45) SYKJAK2JAK1JAK3BRD4
SCHEMBL13248984 0.90 SYK (0.46) SYKJAK2JAK1JAK3BRD4
SCHEMBL1741120 0.89 PRKCQ (0.46) SYKJAK2JAK1JAK3BRD4
SCHEMBL3496877 0.89 JAK2 (0.48) SYKJAK2JAK1JAK3BRD4
SCHEMBL13248972 0.87 SYK (0.42) SYKJAK2JAK1JAK3BRD4
SCHEMBL3494040 0.87 CHEK1 (0.45) SYKJAK2JAK1JAK3PAK1
SCHEMBL13248983 0.87 BRD4 (0.46) SYKJAK2JAK1JAK3BRD4
SCHEMBL3494973 0.86 SYK (0.46) SYKJAK2JAK1JAK3BRD4
SCHEMBL1741098 0.84 BRD4 (0.46) SYKJAK2JAK1JAK3BRD4
SCHEMBL3496551 0.80 PAK1 (0.57) JAK2JAK3BRD4SLC2A1PAK1

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-8575165-B2 Methods for treating inflammatory disorders using 2,4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS, INC. (US) 2013-11-05 US disclosed
US-20100179165-A1 METHODS FOR TREATING INFLAMMATORY DISORDERS USING 2,4-PYRIMIDINEDIAMINE COMPOUNDS MIDCAP FINANCIAL TRUST 2010-07-15 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-20100179165-A1 METHODS FOR TREATING INFLAMMATORY DISORDERS USING 2,4-PYRIMIDINEDIAMINE COMPOUNDS IL2, IL17A, IL23R SYK 1196/4885JAK2 180/4885JAK1 357/4885

“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.