SCHEMBL2527764

SCHEMBL2527764

C[C@@H]1CN(c2ccc(Nc3ncc(F)c(Nc4ccc5c(n4)NC(=O)CO5)n3)cn2)CCO1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 6/20 0.59
SYK P43405 8/20 0.53
JAK1 P23458 3/20 0.42
JAK3 P52333 3/20 0.42
JAK2 O60674 2/20 0.42
TYK2 P29597 2/20 0.42
ADORA3 P0DMS8 2/20 0.42
TYRO3 Q06418 2/20 0.42
IGF1R P08069 2/20 0.42
EGFR P00533 2/20 0.42
BMPR1B O00238 1/20 0.42
CDC7 O00311 1/20 0.42
PIK3CD O00329 1/20 0.42
PLK4 O00444 1/20 0.42
STK25 O00506 1/20 0.42
CIT O14578 1/20 0.42
RIOK3 O14730 1/20 0.42
CHEK1 O14757 1/20 0.42
IKBKB O14920 1/20 0.42
AURKA O14965 1/20 0.42

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
SCHEMBL2525441 1.00 NR3C2 (0.59) NR3C2SYKJAK1JAK3JAK2
SCHEMBL2517922 0.91 NR3C2 (0.54) NR3C2SYKJAK1JAK3JAK2
SCHEMBL12213063 0.91 NR3C2 (0.54) NR3C2SYKJAK1JAK3JAK2
SCHEMBL2519967 0.91 SYK (0.56) NR3C2SYKJAK1JAK3JAK2
SCHEMBL2519964 0.91 SYK (0.56) NR3C2SYKJAK1JAK3JAK2
SCHEMBL2519219 0.89 SYK (0.56) NR3C2SYKJAK1JAK3JAK2
SCHEMBL12213090 0.88 SYK (0.52) NR3C2SYKJAK1JAK3JAK2
SCHEMBL12213088 0.88 SYK (0.52) NR3C2SYKJAK1JAK3JAK2
SCHEMBL2524918 0.88 SYK (0.57) NR3C2SYKJAK1JAK3JAK2
SCHEMBL12212876 0.88 SYK (0.57) NR3C2SYKJAK1JAK3JAK2

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 10 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
EP-2558474-A1 2, 4-PYRIMIDINEDIAMINE COMPOUNDS AND PRODRUGS THEREOF AND THEIR USES Rigel Pharmaceuticals, Inc. (US) 2013-02-20 EP disclosed
WO-2011130390-A1 2, 4-PYRIMIDINEDIAMINE COMPOUNDS AND PRODRUGS THEREOF AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2011-10-20 WO disclosed
US-20110251177-A1 2, 4-PYRIMIDINEDIAMINE COMPOUNDS AND PRODRUGS THEREOF AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2011-10-13 US disclosed
US-20110251177-A1 2, 4-PYRIMIDINEDIAMINE COMPOUNDS AND PRODRUGS THEREOF AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2011-10-13 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 NR3C2 4364/4885SYK 1871/4885JAK1 2892/4885

“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.