SCHEMBL12854335

SCHEMBL12854335

CCCN1CCOc2ccc(Nc3nc(Nc4ccc(N5CC6CC5CN6S(C)(=O)=O)c(C)c4)ncc3F)nc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 7/20 0.41
▸ ITK Q08881 4/20 0.41
▸ PAK1 Q13153 2/20 0.40
▸ CSF1R P07333 3/20 0.39
▸ CDK4 P11802 2/20 0.39
▸ CDK6 Q00534 2/20 0.39
▸ CHEK1 O14757 2/20 0.38
▸ FLT3 P36888 2/20 0.38
▸ PIK3CD O00329 1/20 0.37
▸ SYK P43405 5/20 0.37
▸ JAK1 P23458 4/20 0.36
▸ KDR P35968 2/20 0.36
▸ JAK2 O60674 2/20 0.36
▸ CDC7 O00311 1/20 0.36
▸ PLK4 O00444 1/20 0.36
▸ AURKA O14965 1/20 0.36
▸ DCLK1 O15075 1/20 0.36
▸ PDPK1 O15530 1/20 0.36
▸ DAPK3 O43293 1/20 0.36
▸ ROCK2 O75116 1/20 0.36

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
SCHEMBL12854347 0.94 JAK1 (0.41) EGFRITKPAK1CSF1RCDK4
SCHEMBL12854339 0.89 EGFR (0.42) EGFRITKPAK1CSF1RCDK4
SCHEMBL12854337 0.88 PAK1 (0.39) EGFRITKPAK1CSF1RCHEK1
SCHEMBL12854350 0.83 BRD4 (0.39) EGFRITKPAK1CSF1RCHEK1
SCHEMBL12854345 0.82 JAK1 (0.40) EGFRPAK1CSF1RSYKJAK1
SCHEMBL12854341 0.77 SYK (0.39) EGFRITKPAK1CSF1RCHEK1
SCHEMBL12854480 0.73 JAK1 (0.43) EGFRPAK1CSF1RSYKJAK1
SCHEMBL14481840 0.73 FLT3 (0.48) EGFRITKPAK1CSF1RCHEK1
SCHEMBL4280928 0.72 EGFR (0.36) EGFRPAK1CDK4CHEK1FLT3
SCHEMBL4277745 0.72 EGFR (0.36) EGFRPAK1CDK4CHEK1FLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2382210-B1 PYRIMIDINEDIAMINE KINASE INHIBITORS RIGEL PHARMACEUTICALS INC (US) 2017-03-01 — — EP 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-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-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-20130012501-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS RIGEL PHARMACEUTICALS, INC. 2013-01-10 — — 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-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
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 EGFR 1807/4885ITK 1084/4885PAK1 55/4885
US-20100179134-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS PLK1, TK1, DTYMK EGFR 1983/4885ITK 1021/4885PAK1 116/4885
US-20130309228-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS PLK1, TK1, DTYMK EGFR 1807/4885ITK 1084/4885PAK1 55/4885

“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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