SCHEMBL12854347

SCHEMBL12854347

CCCN1CCOc2ccc(Nc3nc(Nc4ccc(N5CC6CC5CN6S(C)(=O)=O)c(C)c4)ncc3C)nc21

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 7/20 0.41
▸ JAK2 O60674 2/20 0.41
▸ BRD4 O60885 7/20 0.39
▸ JAK3 P52333 1/20 0.36
▸ CHEK1 O14757 1/20 0.36
▸ FLT3 P36888 1/20 0.36
▸ PAK1 Q13153 1/20 0.36
▸ STK17A Q9UEE5 1/20 0.35
▸ CSF1R P07333 2/20 0.35
▸ EGFR P00533 2/20 0.35
▸ CDK4 P11802 1/20 0.35
▸ CDK6 Q00534 1/20 0.35
▸ ITK Q08881 1/20 0.34

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
SCHEMBL12854335 0.94 EGFR (0.41) JAK1JAK2JAK3CHEK1FLT3
SCHEMBL12854350 0.88 BRD4 (0.39) JAK1JAK2BRD4JAK3CHEK1
SCHEMBL12854345 0.88 JAK1 (0.40) JAK1JAK2BRD4JAK3PAK1
SCHEMBL12854339 0.83 EGFR (0.42) JAK1JAK2JAK3CHEK1FLT3
SCHEMBL12854337 0.82 PAK1 (0.39) JAK1JAK2JAK3CHEK1FLT3
SCHEMBL12854480 0.79 JAK1 (0.43) JAK1JAK2BRD4JAK3PAK1
SCHEMBL12854367 0.76 JAK1 (0.38) JAK1JAK2BRD4JAK3PAK1
SCHEMBL4280928 0.73 EGFR (0.36) JAK2BRD4JAK3CHEK1FLT3
SCHEMBL4277745 0.73 EGFR (0.36) JAK2BRD4JAK3CHEK1FLT3
SCHEMBL14553233 0.73 JAK1 (0.43) JAK1JAK2BRD4JAK3FLT3

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 JAK1 567/4885JAK2 854/4885BRD4 758/4885
US-20100179134-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS PLK1, TK1, DTYMK JAK1 503/4885JAK2 994/4885BRD4 789/4885
US-20130309228-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS PLK1, TK1, DTYMK JAK1 567/4885JAK2 854/4885BRD4 758/4885

“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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