SCHEMBL12854337

SCHEMBL12854337

CCCN1C(=O)COc2ccc(Nc3nc(Nc4ccc(N5CC6CC5CN6S(C)(=O)=O)c(C)c4)ncc3F)nc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PAK1 Q13153 2/20 0.39
▸ SYK P43405 7/20 0.36
▸ WEE1 P30291 2/20 0.36
▸ JAK1 P23458 7/20 0.36
▸ EGFR P00533 3/20 0.35
▸ ITK Q08881 2/20 0.35
▸ JAK2 O60674 4/20 0.35
▸ PLK4 O00444 2/20 0.35
▸ AURKA O14965 2/20 0.35
▸ RET P07949 2/20 0.35
▸ FLT3 P36888 2/20 0.35
▸ MAPK8 P45983 2/20 0.35
▸ MAPK9 P45984 2/20 0.35
▸ MST1R Q04912 2/20 0.35
▸ IKBKE Q14164 2/20 0.35
▸ AURKB Q96GD4 2/20 0.35
▸ STK16 O75716 1/20 0.35
▸ LATS1 O95835 1/20 0.35
▸ PTK2 Q05397 1/20 0.35
▸ TNK1 Q13470 1/20 0.35

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
SCHEMBL12854345 0.94 JAK1 (0.40) PAK1SYKWEE1JAK1EGFR
SCHEMBL12854341 0.89 SYK (0.39) PAK1SYKWEE1JAK1EGFR
SCHEMBL12854335 0.88 EGFR (0.41) PAK1SYKJAK1EGFRITK
SCHEMBL12854480 0.86 JAK1 (0.43) PAK1SYKWEE1JAK1EGFR
SCHEMBL12854367 0.83 JAK1 (0.38) PAK1SYKWEE1JAK1EGFR
SCHEMBL12854347 0.82 JAK1 (0.41) PAK1JAK1EGFRITKJAK2
SCHEMBL12694772 0.78 JAK1 (0.44) PAK1SYKWEE1JAK1EGFR
SCHEMBL12854536 0.78 BRD4 (0.42) SYKWEE1EGFRITKJAK2
SCHEMBL12854339 0.77 EGFR (0.42) PAK1SYKJAK1EGFRITK
SCHEMBL12854464 0.76 WEE1 (0.49) PAK1SYKWEE1JAK1EGFR

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 PAK1 55/4885SYK 2106/4885WEE1 342/4885
US-20100179134-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS PLK1, TK1, DTYMK PAK1 116/4885SYK 2304/4885WEE1 236/4885
US-20130309228-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS PLK1, TK1, DTYMK PAK1 55/4885SYK 2106/4885WEE1 342/4885

“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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