SCHEMBL2563231

SCHEMBL2563231

COC(=O)N1CCN(c2ccc(Nc3ncc(F)c(Nc4ccc5c(n4)NC(=O)CO5)n3)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 6/20 0.58
ALK Q9UM73 9/20 0.54
FLT3 P36888 3/20 0.49
BTK Q06187 3/20 0.49
AURKA O14965 2/20 0.46
AURKB Q96GD4 2/20 0.46
CDK2 P24941 2/20 0.46
BMPR1B O00238 1/20 0.46
CDC7 O00311 1/20 0.46
PIK3CD O00329 1/20 0.46
PLK4 O00444 1/20 0.46
STK25 O00506 1/20 0.46
CIT O14578 1/20 0.46
RIOK3 O14730 1/20 0.46
CHEK1 O14757 1/20 0.46
IKBKB O14920 1/20 0.46
GAK O14976 1/20 0.46
CHUK O15111 1/20 0.46
MUSK O15146 1/20 0.46
EPHB6 O15197 1/20 0.46

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
SCHEMBL2524854 0.93 SYK (0.58) SYKALKFLT3BTKAURKA
SCHEMBL2563962 0.92 ALK (0.58) SYKALKFLT3BTK
SCHEMBL2565362 0.89 SYK (0.57) SYKALKFLT3BTKAURKA
SCHEMBL2521984 0.87 SYK (0.56) SYKALKFLT3BTKAURKA
SCHEMBL2523080 0.87 SYK (0.63) SYKALKFLT3BTKAURKA
SCHEMBL2563073 0.87 SYK (0.62) SYKALKFLT3BTKAURKA
SCHEMBL13268243 0.87 ALK (0.54) SYKALKFLT3BTKAURKA
SCHEMBL2565552 0.85 SYK (0.65) SYKALKFLT3BTKAURKA
SCHEMBL12212955 0.84 SYK (0.59) SYKALKFLT3BTKAURKA
SCHEMBL2567887 0.84 SYK (0.65) SYKALKCDK2MAP3K7EGFR

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518937-B2 Pyrimidinediamine kinase inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2013-08-27 US claimed
US-20130012501-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS RIGEL PHARMACEUTICALS, INC. 2013-01-10 US claimed
US-8278299-B2 Pyrimidinediamine kinase inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2012-10-02 US claimed
EP-2382210-A2 PYRIMIDINEDIAMINE KINASE INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2011-11-02 EP claimed
US-20100179134-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2010-07-15 US claimed
WO-2010078369-A2 PYRIMIDINEDIAMINE KINASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2010-07-08 WO claimed
US-9040527-B2 Pyrimidinediamine kinase inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2015-05-26 US disclosed
US-9040527-B2 Pyrimidinediamine kinase inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2015-05-26 US disclosed
US-9040527-B2 Pyrimidinediamine kinase inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2015-05-26 US disclosed
US-20130309228-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2013-11-21 US disclosed
US-20130309228-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2013-11-21 US disclosed
US-8518937-B2 Pyrimidinediamine kinase inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2013-08-27 US disclosed
US-8518937-B2 Pyrimidinediamine kinase inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2013-08-27 US disclosed
US-8278299-B2 Pyrimidinediamine kinase inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2012-10-02 US disclosed
US-8278299-B2 Pyrimidinediamine kinase inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2012-10-02 US disclosed
EP-2382210-A2 PYRIMIDINEDIAMINE KINASE INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2011-11-02 EP disclosed
US-20100179134-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2010-07-15 US disclosed
US-20100179134-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2010-07-15 US disclosed
US-20100179134-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2010-07-15 US disclosed
WO-2010078369-A2 PYRIMIDINEDIAMINE KINASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2010-07-08 WO 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 (3 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-20130012501-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS PLK1, TK1, DTYMK SYK 2106/4885ALK 3241/4885FLT3 516/4885
US-20100179134-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS PLK1, TK1, DTYMK SYK 2304/4885ALK 3686/4885FLT3 525/4885
US-20130309228-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS PLK1, TK1, DTYMK SYK 2106/4885ALK 3241/4885FLT3 516/4885

“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.