SCHEMBL12439735

SCHEMBL12439735

O=C1CS(=O)(=O)c2ccc(Nc3nc(Nc4ccc5[nH]ncc5c4)ncc3F)cc2N1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 7/20 0.58
ROCK2 O75116 9/20 0.51
ROCK1 Q13464 5/20 0.51
CDC7 O00311 1/20 0.46
ULK1 O75385 1/20 0.46
CHEK1 O14757 1/20 0.45
AURKA O14965 1/20 0.45
DAPK3 O43293 1/20 0.45
JAK2 O60674 1/20 0.45
PRKD3 O94806 1/20 0.45
MAP4K4 O95819 1/20 0.45
PAK4 O96013 1/20 0.45
ABL1 P00519 1/20 0.45
NTRK1 P04629 1/20 0.45
LCK P06239 1/20 0.45
FYN P06241 1/20 0.45
CSF1R P07333 1/20 0.45
RET P07949 1/20 0.45
IGF1R P08069 1/20 0.45
MET P08581 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
SCHEMBL12389643 0.94 SYK (0.58) SYKROCK2ROCK1CDC7PDGFRB
SCHEMBL19297737 0.86 AURKA (0.51) SYKAURKAEGFR
SCHEMBL19297716 0.84 SYK (0.68) SYKAURKAMAPK8AURKB
SCHEMBL12440603 0.84 SYK (0.56) SYKROCK2ROCK1CDC7ULK1
SCHEMBL19297713 0.83 BCL6 (0.48) SYKAURKAJAK2JAK3PTK2
SCHEMBL19297738 0.83 SYK (0.56) SYKAURKAJAK2LCKJAK3
SCHEMBL1973780 0.82 SYK (0.77) SYKROCK2ROCK1CDC7ULK1
SCHEMBL12439737 0.82 SYK (0.58) SYKROCK2ROCK1CDC7ULK1
SCHEMBL19297751 0.81 SYK (0.54) SYKROCK2ROCK1CDC7ULK1
SCHEMBL19297723 0.81 BCL6 (0.59) SYKPTK2EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9751893-B2 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS, INC. (US) 2017-09-05 US claimed
US-9598432-B2 2,4-pyrimidinediamine compounds and uses as anti-proliferative agents RIGEL PHARMACEUTICALS, INC. (US) 2017-03-21 US disclosed
US-20150011002-A1 2,4-Pyrimidinediamine Compounds And Uses As Anti-Proliferative Agents RIGEL PHARMACEUTICALS, INC. (US) 2015-01-08 US disclosed
US-8809341-B2 2,4-pyrimidinediamine compounds and uses as anti-proliferative agents RIGEL PHARMACEUTICALS, INC. (US) 2014-08-19 US disclosed
US-20110190271-A1 2,4-Pyrimidinediamine Compounds and Uses as Anti-Proliferative Agents RIGEL PHARMACEUTICALS, INC. (US) 2011-08-04 US disclosed
US-7884111-B2 2,4-pyrimidinediamine compounds and uses as anti-proliferative agents RIGEL PHARMACEUTICALS, INC. (US) 2011-02-08 US disclosed
US-7884111-B2 2,4-pyrimidinediamine compounds and uses as anti-proliferative agents RIGEL PHARMACEUTICALS, INC. (US) 2011-02-08 US disclosed
US-20080027045-A1 2,4-Pyrimidinediamine Compounds And Uses As Anti-Proliferative Agents RIGEL PHARMACEUTICALS, INC. (US) 2008-01-31 US disclosed
US-20080027045-A1 2,4-Pyrimidinediamine Compounds And Uses As Anti-Proliferative Agents RIGEL PHARMACEUTICALS, INC. (US) 2008-01-31 US disclosed
US-20080021020-A1 2,4-Pyrimidinediamine Compounds And Uses As Anti-Proliferative Agents RIGEL PHARMACEUTICALS, INC. (US) 2008-01-24 US disclosed
US-20080021020-A1 2,4-Pyrimidinediamine Compounds And Uses As Anti-Proliferative Agents RIGEL PHARMACEUTICALS, INC. (US) 2008-01-24 US disclosed
US-20080009484-A1 2,4-Pyrimidinediamine Compounds And Uses As Anti-Proliferative Agents RIGEL PHARMACEUTICALS, INC. (US) 2008-01-10 US disclosed
US-20080009484-A1 2,4-Pyrimidinediamine Compounds And Uses As Anti-Proliferative Agents RIGEL PHARMACEUTICALS, INC. (US) 2008-01-10 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 (5 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-20080009484-A1 2,4-Pyrimidinediamine Compounds And Uses As Anti-Proliferative Agents MKI67, TYMP, PCNA SYK 4427/4885ROCK2 2045/4885ROCK1 2776/4885
US-20080027045-A1 2,4-Pyrimidinediamine Compounds And Uses As Anti-Proliferative Agents MKI67, TYMP, PCNA SYK 4427/4885ROCK2 2045/4885ROCK1 2776/4885
US-20080021020-A1 2,4-Pyrimidinediamine Compounds And Uses As Anti-Proliferative Agents MKI67, TYMP, PCNA SYK 4427/4885ROCK2 2045/4885ROCK1 2776/4885
US-20110190271-A1 2,4-Pyrimidinediamine Compounds and Uses as Anti-Proliferative Agents MKI67, TYMP, PCNA SYK 4427/4885ROCK2 2045/4885ROCK1 2776/4885
US-20150011002-A1 2,4-Pyrimidinediamine Compounds And Uses As Anti-Proliferative Agents MKI67, TYMP, PCNA SYK 4427/4885ROCK2 2045/4885ROCK1 2776/4885

“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.