SCHEMBL4278990

SCHEMBL4278990

Cc1cc(Nc2nccc(-c3cnc4c(c3)OC(C)(C)C(=O)N4)n2)ccc1N1CCN2CCC1CC2

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 4/20 0.37
▸ BRD4 O60885 6/20 0.36
▸ CDK9 P50750 2/20 0.36
▸ JAK2 O60674 3/20 0.36
▸ JAK1 P23458 2/20 0.36
▸ JAK3 P52333 2/20 0.36
▸ EGFR P00533 2/20 0.36
▸ TBK1 Q9UHD2 1/20 0.35
▸ BRDT Q58F21 1/20 0.35
▸ CDK2 P24941 2/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ ACVR1 Q04771 1/20 0.35
▸ CLK1 P49759 1/20 0.35
▸ CLK2 P49760 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ CLK4 Q9HAZ1 1/20 0.35
▸ DYRK1B Q9Y463 1/20 0.35
▸ CCNA2 P20248 1/20 0.34
▸ CCNA1 P78396 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
SCHEMBL4283646 0.96 SYK (0.36) SYKBRD4CDK9JAK2JAK1
SCHEMBL4277038 0.86 BRD4 (0.37) SYKBRD4CDK9JAK2JAK1
SCHEMBL4284139 0.86 BRD4 (0.37) SYKBRD4CDK9JAK2JAK1
SCHEMBL4284581 0.85 PAK1 (0.39) SYKBRD4CDK9JAK2JAK1
SCHEMBL4291726 0.85 PAK1 (0.39) SYKBRD4CDK9JAK2JAK1
SCHEMBL4284314 0.85 PAK1 (0.39) SYKBRD4CDK9JAK2JAK1
SCHEMBL4278664 0.85 BRD4 (0.36) SYKBRD4CDK9JAK2JAK1
SCHEMBL4280578 0.85 BRD4 (0.36) SYKBRD4CDK9JAK2JAK1
SCHEMBL4281095 0.84 SYK (0.40) SYKBRD4CDK9JAK2JAK1
SCHEMBL4287652 0.84 STK17A (0.43) SYKBRD4CDK9JAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9624229-B2 Pyrimidine-2-amine compounds and their use as inhibitors of JAK kinases RIGEL PHARMACEUTICALS, INC. (US) 2017-04-18 — — US disclosed
EP-2265607-B1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES RIGEL PHARMACEUTICALS INC (US) 2016-12-14 — — EP disclosed
US-20140213585-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES RIGEL PHARMACEUTICALS, INC. (US) 2014-07-31 — — US disclosed
US-8735418-B2 Pyrimidine-2-amine compounds and their use as inhibitors of JAK kinases RIGEL PHARMACEUTICALS, INC. (US) 2014-05-27 — — US disclosed
US-20130310340-A1 METHOD OF TREATING MUSCULAR DEGRADATION RIGEL PHARMACEUTICALS, INC. (US) 2013-11-21 — — US disclosed
WO-2013173506-A2 METHOD OF TREATING MUSCULAR DEGRADATION RIGEL PHARMACEUTICALS, INC. (US) 2013-11-21 — — WO disclosed
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES RIGEL PHARMACEUTICAL, INC. (US) 2013-01-17 — — US disclosed
US-8309566-B2 Pyrimidine-2-amine compounds and their use as inhibitors of JAK kinases RIGEL PHARMACEUTICALS, INC. (US) 2012-11-13 — — US disclosed
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES RIGEL PHARMACEUTICALS, INC. (US) 2009-10-15 — — 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 (4 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-20130310340-A1 METHOD OF TREATING MUSCULAR DEGRADATION PYGM, CKMT1A; CKMT1B, SMN1; SMN2 SYK 4857/4885BRD4 2051/4885CDK9 1899/4885
US-20140213585-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 SYK 36/4885BRD4 251/4885CDK9 59/4885
US-20130018041-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 SYK 39/4885BRD4 468/4885CDK9 15/4885
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 SYK 46/4885BRD4 535/4885CDK9 14/4885

“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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