SCHEMBL4383912

SCHEMBL4383912

CC(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCN(CCOCc5ccccc5)CC4)cc3)n2)cc1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 18/20 0.68
▸ JAK3 P52333 9/20 0.59
▸ HDAC6 Q9UBN7 3/20 0.53
▸ HDAC1 Q13547 2/20 0.53
▸ JAK1 P23458 3/20 0.52
▸ CDK4 P11802 1/20 0.50
▸ CCND1 P24385 1/20 0.50
▸ CCND2 P30279 1/20 0.50
▸ CCND3 P30281 1/20 0.50
▸ TYK2 P29597 1/20 0.49
▸ IKBKB O14920 1/20 0.49

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
SCHEMBL4385536 0.87 JAK2 (0.73) JAK2JAK3HDAC6HDAC1JAK1
SCHEMBL4379821 0.85 JAK2 (0.84) JAK2JAK3HDAC6HDAC1JAK1
SCHEMBL4383393 0.85 JAK2 (0.77) JAK2JAK3HDAC6HDAC1JAK1
SCHEMBL4382212 0.84 JAK2 (0.80) JAK2JAK3HDAC6HDAC1JAK1
SCHEMBL4375020 0.84 JAK2 (0.76) JAK2JAK3HDAC6HDAC1JAK1
SCHEMBL4377671 0.83 JAK2 (0.80) JAK2JAK3HDAC6HDAC1JAK1
SCHEMBL4390280 0.82 JAK2 (0.73) JAK2JAK3HDAC6HDAC1JAK1
SCHEMBL4381656 0.82 JAK2 (0.70) JAK2JAK3HDAC6HDAC1JAK1
SCHEMBL4374825 0.82 JAK2 (0.70) JAK2JAK3HDAC6HDAC1JAK1
SCHEMBL4383450 0.81 JAK2 (1.00) JAK2JAK3HDAC6HDAC1JAK1

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
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
EP-1979329-A2 4-ARYL-2-AMINO-PYRIMIDINES OR 4-ARYL-2-AMINOALKYL-PYRIMIDINES AS JAK-2 MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2008-10-15 — — EP disclosed
WO-2007089768-A2 4-ARYL-2-AMINO-PYRIMIDINES OR 4-ARYL-2-AMINOALKYL-PYRIMIDINES AS JAK-2 MODULATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM EXELIXIS, INC. (US) 2007-08-09 — — 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 1/4885JAK3 3/4885HDAC6 2522/4885

“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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