SCHEMBL2521272

SCHEMBL2521272

Cc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)NC(=O)C(C)(C)O4)n2)ccc1N1CCC2(CCOC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 12/20 0.56
▸ JAK3 P52333 5/20 0.56
▸ JAK2 O60674 4/20 0.56
▸ TYK2 P29597 4/20 0.56
▸ JAK1 P23458 4/20 0.56
▸ MAPK9 P45984 4/20 0.56
▸ FLT3 P36888 4/20 0.56
▸ KDR P35968 4/20 0.56
▸ BTK Q06187 3/20 0.56
▸ PLK4 O00444 3/20 0.56
▸ AURKA O14965 3/20 0.56
▸ RET P07949 3/20 0.56
▸ MAPK8 P45983 3/20 0.56
▸ MST1R Q04912 3/20 0.56
▸ IKBKE Q14164 3/20 0.56
▸ AURKB Q96GD4 3/20 0.56
▸ ADORA3 P0DMS8 2/20 0.56
▸ TYRO3 Q06418 2/20 0.56
▸ MAPK10 P53779 2/20 0.56
▸ CDC7 O00311 2/20 0.56

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
SCHEMBL2526118 0.91 SYK (0.61) SYKJAK3JAK2TYK2JAK1
SCHEMBL2521050 0.89 SYK (0.57) SYKJAK3JAK2TYK2JAK1
SCHEMBL2526665 0.88 SYK (0.56) SYKJAK3JAK2TYK2JAK1
SCHEMBL2518417 0.85 SYK (0.63) SYKJAK3JAK2TYK2JAK1
SCHEMBL2516431 0.84 SYK (0.62) SYKJAK3JAK2TYK2JAK1
SCHEMBL2521971 0.84 SYK (0.60) SYKJAK3JAK2TYK2JAK1
SCHEMBL2526159 0.82 SYK (0.72) SYKJAK3JAK2TYK2JAK1
SCHEMBL12854457 0.81 JAK3 (0.51) SYKJAK3JAK2TYK2JAK1
SCHEMBL2525986 0.81 SYK (0.61) SYKJAK3JAK2TYK2JAK1
SCHEMBL2525992 0.80 SYK (0.64) SYKJAK3JAK2TYK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 SYK 1871/4885JAK3 2636/4885JAK2 1672/4885

“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.

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