SCHEMBL4377642

SCHEMBL4377642

COc1cccc(CNC(=O)c2cccc(Nc3nccc(-c4ccc(NC(C)=O)cc4)n3)c2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 11/20 0.61
▸ ROCK1 Q13464 2/20 0.60
▸ ROCK2 O75116 2/20 0.59
▸ HDAC6 Q9UBN7 5/20 0.56
▸ HDAC1 Q13547 4/20 0.56
▸ PIK3CG P48736 3/20 0.56
▸ PIK3CA P42336 2/20 0.56
▸ PIK3CB P42338 2/20 0.56
▸ JAK3 P52333 1/20 0.56
▸ MMP13 P45452 1/20 0.53
▸ AURKA O14965 1/20 0.52
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ PRKACA P17612 1/20 0.51
▸ GSK3A P49840 1/20 0.51
▸ GSK3B P49841 1/20 0.51
▸ PRKX P51817 1/20 0.51
▸ PRKCQ Q04759 1/20 0.51
▸ CLK4 Q9HAZ1 1/20 0.51

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
SCHEMBL4381837 0.92 JAK2 (0.62) JAK2ROCK1HDAC6HDAC1PIK3CG
SCHEMBL4374526 0.90 JAK2 (0.73) JAK2HDAC6HDAC1PIK3CGJAK3
SCHEMBL13588608 0.89 JAK2 (0.64) JAK2HDAC6HDAC1PIK3CGPIK3CA
SCHEMBL4388786 0.88 JAK2 (0.63) JAK2HDAC6HDAC1JAK3
SCHEMBL4384156 0.88 JAK2 (0.63) JAK2HDAC6HDAC1JAK3
SCHEMBL4382343 0.87 JAK2 (0.64) JAK2HDAC6HDAC1JAK3PRKCQ
SCHEMBL4382694 0.87 JAK2 (0.66) JAK2HDAC6HDAC1JAK3
SCHEMBL4380649 0.86 JAK2 (0.70) JAK2HDAC6HDAC1PIK3CGJAK3
SCHEMBL3816449 0.86 PIK3CG (0.61) ROCK1ROCK2HDAC6HDAC1PIK3CG
SCHEMBL4381080 0.86 JAK2 (0.60) JAK2HDAC6HDAC1JAK3AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 — — WO claimed
WO-2008124085-A2 METHODS OF USING COMBINATIONS OF MEK AND JAK-2 INHIBITORS EXELIXIS, INC. (US) 2008-10-16 — — WO claimed
US-8440663-B2 4-aryl-2-amino-pyrimidines or 4-aryl-2-aminoalkyl-pyrimidines as JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2013-05-14 — — US disclosed
US-8440663-B2 4-aryl-2-amino-pyrimidines or 4-aryl-2-aminoalkyl-pyrimidines as JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2013-05-14 — — US disclosed
US-8440663-B2 4-aryl-2-amino-pyrimidines or 4-aryl-2-aminoalkyl-pyrimidines as JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2013-05-14 — — US disclosed
US-20090298830-A1 4-Aryl-2-Amino-Pyrimidnes or 4-Aryl-2-Aminoalkyl-Pyrimidines as Jak-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2009-12-03 — — US disclosed
US-20090298830-A1 4-Aryl-2-Amino-Pyrimidnes or 4-Aryl-2-Aminoalkyl-Pyrimidines as Jak-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2009-12-03 — — US disclosed
US-20090298830-A1 4-Aryl-2-Amino-Pyrimidnes or 4-Aryl-2-Aminoalkyl-Pyrimidines as Jak-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2009-12-03 — — US disclosed
WO-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 — — WO disclosed
WO-2008124085-A2 METHODS OF USING COMBINATIONS OF MEK AND JAK-2 INHIBITORS EXELIXIS, INC. (US) 2008-10-16 — — WO 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 (1 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-20090298830-A1 4-Aryl-2-Amino-Pyrimidnes or 4-Aryl-2-Aminoalkyl-Pyrimidines as Jak-2 Modulators and Methods of Use JAK2, JAK1, JAK3 JAK2 1/4885ROCK1 2633/4885ROCK2 892/4885

“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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