SCHEMBL12854262

SCHEMBL12854262

CNc1ncc(F)c(Nc2ccc3c(n2)NC(=O)C(C)(C)O3)n1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 15/20 0.69
▸ AURKA O14965 4/20 0.69
▸ PLK4 O00444 3/20 0.69
▸ FLT3 P36888 3/20 0.69
▸ MAPK8 P45983 3/20 0.69
▸ MAPK9 P45984 3/20 0.69
▸ PTK2 Q05397 3/20 0.69
▸ AURKB Q96GD4 3/20 0.69
▸ KDR P35968 3/20 0.69
▸ JAK2 O60674 3/20 0.69
▸ LCK P06239 3/20 0.69
▸ LYN P07948 3/20 0.69
▸ JAK3 P52333 3/20 0.69
▸ ADORA3 P0DMS8 2/20 0.69
▸ TYRO3 Q06418 2/20 0.69
▸ STK16 O75716 2/20 0.69
▸ RET P07949 2/20 0.69
▸ MST1R Q04912 2/20 0.69
▸ TNK1 Q13470 2/20 0.69
▸ IKBKE Q14164 2/20 0.69

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
SCHEMBL22068257 0.92 SYK (0.69) SYKAURKAPLK4FLT3MAPK8
SCHEMBL12212784 0.89 SYK (0.66) SYKAURKAPLK4FLT3MAPK8
SCHEMBL12237025 0.89 SYK (0.66) SYKAURKAPLK4FLT3MAPK8
SCHEMBL2627048 0.87 SYK (0.72) SYKAURKAPLK4FLT3MAPK8
SCHEMBL1083288 0.86 SYK (0.62) SYKAURKAPLK4FLT3MAPK8
SCHEMBL2523179 0.85 SYK (0.70) SYKAURKAPLK4FLT3MAPK8
SCHEMBL2518437 0.83 SYK (0.67) SYKAURKAPLK4FLT3MAPK8
R-406 SCHEMBL29358236 0.82 SYK (1.00) SYKAURKAPLK4FLT3MAPK8
SCHEMBL2525389 0.82 SYK (0.68) SYKAURKAPLK4FLT3MAPK8
R-406 SCHEMBL1200144 0.82 SYK (1.00) SYKAURKAPLK4FLT3MAPK8

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 7 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 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-8518937-B2 Pyrimidinediamine kinase inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2013-08-27 — — US disclosed
US-20130012501-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS RIGEL PHARMACEUTICALS, INC. 2013-01-10 — — US disclosed
US-8278299-B2 Pyrimidinediamine kinase inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2012-10-02 — — US disclosed
US-20100179134-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2010-07-15 — — 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 (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 2106/4885AURKA 57/4885PLK4 23/4885
US-20100179134-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS PLK1, TK1, DTYMK SYK 2304/4885AURKA 23/4885PLK4 16/4885
US-20130309228-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS PLK1, TK1, DTYMK SYK 2106/4885AURKA 57/4885PLK4 23/4885

“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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