SCHEMBL2522293

SCHEMBL2522293

O=C1COc2ccc(Nc3nc(Nc4ccc(N5CCOCC5)c(F)c4)ncc3F)nc2N1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 9/20 0.57
MAPK9 P45984 2/20 0.49
MAPK10 P53779 2/20 0.49
JAK3 P52333 4/20 0.48
JAK2 O60674 2/20 0.48
JAK1 P23458 2/20 0.48
TYK2 P29597 2/20 0.48
BTK Q06187 4/20 0.46
FLT3 P36888 3/20 0.46
CDK2 P24941 2/20 0.45
CCNT1 O60563 1/20 0.45
CCNE1 P24864 1/20 0.45
CDK9 P50750 1/20 0.45
CSF1R P07333 2/20 0.45
CDK4 P11802 1/20 0.45
CDK6 Q00534 1/20 0.45
AURKA O14965 2/20 0.45
AURKB Q96GD4 2/20 0.45
EGFR P00533 2/20 0.45
BMPR1B O00238 1/20 0.45

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
SCHEMBL12212907 0.93 SYK (0.57) SYKMAPK9MAPK10JAK3JAK2
SCHEMBL2521543 0.91 SYK (0.57) SYKMAPK9MAPK10JAK3JAK2
SCHEMBL2523080 0.90 SYK (0.63) SYKMAPK9MAPK10JAK3JAK2
SCHEMBL2527690 0.89 SYK (0.58) SYKMAPK9MAPK10JAK3JAK2
SCHEMBL2519219 0.88 SYK (0.56) SYKMAPK9MAPK10JAK3JAK2
SCHEMBL12212955 0.87 SYK (0.59) SYKMAPK9MAPK10JAK3JAK2
SCHEMBL2518417 0.86 SYK (0.63) SYKMAPK9MAPK10JAK3JAK2
SCHEMBL2517933 0.85 SYK (0.57) SYKMAPK9MAPK10JAK3JAK2
SCHEMBL2524377 0.84 SYK (0.53) SYKMAPK9MAPK10JAK3JAK2
SCHEMBL2519237 0.84 SYK (0.54) SYKMAPK9MAPK10JAK3JAK2

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 1871/4885MAPK9 1761/4885MAPK10 3197/4885

“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.