SCHEMBL4375208

SCHEMBL4375208

CCN1CCN(c2ccc(Nc3nccc(-c4ccc(NC(=O)C(N)C(C)C)cc4)n3)cc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 18/20 0.68
JAK3 P52333 12/20 0.68
HDAC1 Q13547 4/20 0.55
HDAC6 Q9UBN7 4/20 0.55
JAK1 P23458 5/20 0.54
TYK2 P29597 3/20 0.53
EGFR P00533 1/20 0.50
HDAC3 O15379 1/20 0.50
NCOR1 O75376 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC8 Q9BY41 1/20 0.50

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
SCHEMBL4390173 1.00 JAK2 (0.68) JAK2JAK3HDAC1HDAC6JAK1
SCHEMBL4375201 1.00 JAK2 (0.68) JAK2JAK3HDAC1HDAC6JAK1
SCHEMBL4384815 0.93 JAK2 (0.78) JAK2JAK3HDAC1HDAC6JAK1
SCHEMBL4378081 0.88 JAK2 (0.86) JAK2JAK3HDAC1HDAC6JAK1
SCHEMBL4388175 0.88 JAK2 (0.86) JAK2JAK3HDAC1HDAC6JAK1
SCHEMBL4378105 0.88 JAK2 (0.86) JAK2JAK3HDAC1HDAC6JAK1
SCHEMBL4377671 0.86 JAK2 (0.80) JAK2JAK3HDAC1HDAC6JAK1
SCHEMBL4384824 0.84 JAK2 (0.57) JAK2JAK3HDAC1HDAC6JAK1
SCHEMBL4376799 0.84 JAK2 (0.68) JAK2JAK3HDAC1HDAC6JAK1
SCHEMBL4385541 0.84 JAK2 (0.64) JAK2JAK3HDAC1HDAC6JAK1

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 4 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-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 1/4885JAK3 3/4885HDAC1 2583/4885

“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.