SCHEMBL2522011

SCHEMBL2522011

CO[C@@H]1CCN(c2ccc(Nc3ncc(F)c(Nc4ccc5c(n4)NC(=O)C(C)(C)O5)n3)cn2)C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 11/20 0.60
EGFR P00533 8/20 0.60
BTK Q06187 4/20 0.60
ITK Q08881 3/20 0.60
ADORA3 P0DMS8 2/20 0.60
TYRO3 Q06418 2/20 0.60
PLK4 O00444 2/20 0.60
AURKA O14965 2/20 0.60
STK16 O75716 2/20 0.60
RET P07949 2/20 0.60
FLT3 P36888 2/20 0.60
MAPK8 P45983 2/20 0.60
MAPK9 P45984 2/20 0.60
MST1R Q04912 2/20 0.60
PTK2 Q05397 2/20 0.60
TNK1 Q13470 2/20 0.60
IKBKE Q14164 2/20 0.60
MAP3K11 Q16584 2/20 0.60
ADCK1 Q86TW2 2/20 0.60
PIP4K2C Q8TBX8 2/20 0.60

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
SCHEMBL12213004 1.00 SYK (0.60) SYKEGFRBTKITKADORA3
SCHEMBL2520950 0.96 SYK (0.61) SYKEGFRBTKITKADORA3
SCHEMBL2525311 0.94 SYK (0.63) SYKEGFRBTKITKADORA3
SCHEMBL2522493 0.92 SYK (0.56) SYKEGFRBTKITKADORA3
SCHEMBL12213007 0.92 SYK (0.56) SYKEGFRBTKITKADORA3
SCHEMBL12213131 0.91 SYK (0.59) SYKEGFRBTKITKADORA3
SCHEMBL12213000 0.90 SYK (0.57) SYKEGFRBTKITKADORA3
SCHEMBL2525435 0.90 SYK (0.57) SYKEGFRBTKITKADORA3
SCHEMBL2525507 0.89 SYK (0.57) SYKEGFRBTKITKADORA3
SCHEMBL2519004 0.88 SYK (0.63) SYKEGFRBTKITKADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2558474-B1 2, 4-PYRIMIDINEDIAMINE COMPOUNDS AND PRODRUGS THEREOF AND THEIR USES RIGEL PHARMACEUTICALS INC (US) 2015-11-25 EP claimed
US-8618095-B2 2, 4-pyrimidinediamine compounds and prodrugs thereof and their uses RIGEL PHARMACEUTICALS, INC. (US) 2013-12-31 US claimed
US-20110251177-A1 2, 4-PYRIMIDINEDIAMINE COMPOUNDS AND PRODRUGS THEREOF AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2011-10-13 US claimed
EP-2558474-B1 2, 4-PYRIMIDINEDIAMINE COMPOUNDS AND PRODRUGS THEREOF AND THEIR USES RIGEL PHARMACEUTICALS INC (US) 2015-11-25 EP disclosed
US-8618095-B2 2, 4-pyrimidinediamine compounds and prodrugs thereof and their uses RIGEL PHARMACEUTICALS, INC. (US) 2013-12-31 US disclosed
US-20110251177-A1 2, 4-PYRIMIDINEDIAMINE COMPOUNDS AND PRODRUGS THEREOF AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2011-10-13 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-20110251177-A1 2, 4-PYRIMIDINEDIAMINE COMPOUNDS AND PRODRUGS THEREOF AND THEIR USES TYMP, DPYD, TYMS SYK 1871/4885EGFR 3393/4885BTK 916/4885

“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.