SCHEMBL2547766

SCHEMBL2547766

Cc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)N(COP(=O)(O)O)C(=O)C(C)(C)O4)n2)ccc1N1CCOCC1.[NaH].[NaH]

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 12/20 0.67
MAPK9 P45984 4/20 0.67
FLT3 P36888 4/20 0.67
AURKA O14965 3/20 0.67
AURKB Q96GD4 3/20 0.67
PLK4 O00444 2/20 0.67
STK16 O75716 2/20 0.67
RET P07949 2/20 0.67
MAPK8 P45983 2/20 0.67
MST1R Q04912 2/20 0.67
PTK2 Q05397 2/20 0.67
TNK1 Q13470 2/20 0.67
IKBKE Q14164 2/20 0.67
MAP3K11 Q16584 2/20 0.67
ADCK1 Q86TW2 2/20 0.67
PIP4K2C Q8TBX8 2/20 0.67
NEK9 Q8TD19 2/20 0.67
IRAK3 Q9Y616 2/20 0.67
LATS1 O95835 1/20 0.67
BRDT Q58F21 1/20 0.67

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
SCHEMBL17277980 0.99 SYK (0.68) SYKMAPK9FLT3AURKAAURKB
SCHEMBL2536722 0.95 SYK (0.69) SYKMAPK9FLT3AURKAAURKB
SCHEMBL17277982 0.94 SYK (0.70) SYKMAPK9FLT3AURKAAURKB
SCHEMBL12213102 0.91 SYK (0.56) SYKMAPK9FLT3AURKAAURKB
SCHEMBL12212848 0.91 SYK (0.72) SYKMAPK9FLT3AURKAAURKB
SCHEMBL2524770 0.90 SYK (0.55) SYKMAPK9FLT3AURKAAURKB
SCHEMBL2535479 0.89 SYK (0.68) SYKMAPK9FLT3AURKAAURKB
SCHEMBL2544982 0.88 SYK (0.69) SYKMAPK9FLT3AURKAAURKB
SCHEMBL12213106 0.86 SYK (0.58) SYKMAPK9FLT3AURKAAURKB
SCHEMBL12621078 0.85 SYK (0.72) SYKMAPK9FLT3AURKAAURKB

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
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 1871/4885MAPK9 1761/4885FLT3 183/4885

“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.