SCHEMBL3115094

SCHEMBL3115094

CCN1C(=O)C(C)(C)Oc2ccc(Nc3nc(Nc4ccc(N5CCN(S(C)(=O)=O)CC5)cc4)ncc3C)cc21

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 18/20 0.51
▸ WEE1 P30291 2/20 0.51
▸ ALK Q9UM73 2/20 0.51
▸ PDGFRB P09619 1/20 0.51
▸ PDGFRA P16234 1/20 0.51
▸ BUB1B O60566 1/20 0.48
▸ JAK2 O60674 1/20 0.48
▸ RET P07949 1/20 0.48
▸ JAK1 P23458 1/20 0.48
▸ BRD2 P25440 1/20 0.48
▸ FLT3 P36888 1/20 0.48
▸ JAK3 P52333 1/20 0.48
▸ BRD3 Q15059 1/20 0.48
▸ BRDT Q58F21 1/20 0.48

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
SCHEMBL3109236 0.91 BRD4 (0.54) BRD4WEE1ALKBUB1BJAK2
SCHEMBL3104016 0.91 PDGFRA (0.62) BRD4WEE1ALKPDGFRBPDGFRA
SCHEMBL3117512 0.91 BRD4 (0.62) BRD4WEE1ALKBUB1BJAK2
SCHEMBL12854633 0.89 BRD4 (0.53) BRD4WEE1ALKPDGFRBPDGFRA
SCHEMBL13268233 0.86 BRD4 (0.51) BRD4WEE1ALKPDGFRBPDGFRA
SCHEMBL3122414 0.85 BRD4 (0.61) BRD4WEE1ALKBUB1BJAK2
SCHEMBL3122506 0.84 PDGFRA (0.59) BRD4WEE1ALKPDGFRBPDGFRA
SCHEMBL3120300 0.84 BRD4 (0.53) BRD4PDGFRBPDGFRAJAK2JAK1
SCHEMBL3114703 0.83 BRD4 (0.54) BRD4WEE1ALKPDGFRBPDGFRA
SCHEMBL12854607 0.83 ALK (0.62) BRD4WEE1ALKPDGFRBPDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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 BRD4 758/4885WEE1 342/4885ALK 3241/4885
US-20100179134-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS PLK1, TK1, DTYMK BRD4 789/4885WEE1 236/4885ALK 3686/4885
US-20130309228-A1 PYRIMIDINEDIAMINE KINASE INHIBITORS PLK1, TK1, DTYMK BRD4 758/4885WEE1 342/4885ALK 3241/4885

“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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