SCHEMBL2523080

SCHEMBL2523080

O=C1COc2ccc(Nc3nc(Nc4ccc(N5CCOCC5)cc4)ncc3F)nc2N1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 6/20 0.63
AURKA O14965 2/20 0.56
AURKB Q96GD4 2/20 0.56
FLT3 P36888 3/20 0.55
BTK Q06187 3/20 0.55
IGF1R P08069 5/20 0.48
CDK2 P24941 3/20 0.48
CCNT1 O60563 1/20 0.48
CCNE1 P24864 1/20 0.48
CDK9 P50750 1/20 0.48
LRRK2 Q5S007 2/20 0.47
JAK2 O60674 2/20 0.46
KCNH2 Q12809 1/20 0.45
PLK4 O00444 2/20 0.45
EGFR P00533 2/20 0.45
BMPR1B O00238 1/20 0.45
CDC7 O00311 1/20 0.45
PIK3CD O00329 1/20 0.45
STK25 O00506 1/20 0.45
CIT O14578 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
SCHEMBL12212955 0.97 SYK (0.59) SYKAURKAAURKBFLT3BTK
SCHEMBL2521984 0.93 SYK (0.56) SYKAURKAAURKBFLT3BTK
SCHEMBL2519237 0.92 SYK (0.54) SYKAURKAAURKBFLT3BTK
SCHEMBL2565362 0.92 SYK (0.57) SYKAURKAAURKBFLT3BTK
SCHEMBL2519219 0.91 SYK (0.56) SYKAURKAAURKBFLT3BTK
SCHEMBL12212941 0.90 SYK (0.54) SYKAURKAAURKBFLT3BTK
SCHEMBL2522293 0.90 SYK (0.57) SYKAURKAAURKBFLT3BTK
SCHEMBL2517891 0.90 SYK (0.54) SYKAURKAAURKBFLT3BTK
SCHEMBL12213122 0.89 SYK (0.54) SYKAURKAAURKBFLT3BTK
SCHEMBL2527690 0.89 SYK (0.58) SYKAURKAAURKBFLT3BTK

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
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
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

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 1871/4885AURKA 629/4885AURKB 304/4885

“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.