SCHEMBL4378275

SCHEMBL4378275

CCN1CCN(C(=O)c2cccc(Nc3nccc(-c4ccc(NC(C)=O)cc4)n3)c2)CC1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 14/20 0.61
▸ JAK3 P52333 1/20 0.58
▸ SYK P43405 1/20 0.55
▸ HDAC1 Q13547 5/20 0.54
▸ HDAC6 Q9UBN7 5/20 0.54
▸ PLK1 P53350 1/20 0.52
▸ DYRK2 Q92630 1/20 0.51
▸ MTOR P42345 1/20 0.51
▸ SMG1 Q96Q15 1/20 0.51
▸ NTRK1 P04629 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
SCHEMBL4386036 0.91 JAK2 (0.71) JAK2JAK3HDAC1HDAC6PLK1
SCHEMBL4379068 0.91 JAK2 (0.66) JAK2JAK3HDAC1HDAC6PLK1
SCHEMBL4383638 0.90 JAK2 (0.66) JAK2JAK3SYKHDAC1HDAC6
SCHEMBL4377438 0.90 JAK2 (0.72) JAK2JAK3HDAC1HDAC6PLK1
SCHEMBL4377094 0.90 JAK2 (0.61) JAK2JAK3SYKHDAC1HDAC6
SCHEMBL4378858 0.88 JAK2 (0.64) JAK2JAK3SYKHDAC1HDAC6
SCHEMBL4377166 0.88 JAK2 (0.74) JAK2JAK3HDAC1HDAC6PLK1
SCHEMBL4377680 0.88 JAK2 (0.64) JAK2JAK3HDAC1HDAC6PLK1
SCHEMBL4379050 0.87 JAK2 (0.71) JAK2JAK3HDAC1HDAC6PLK1
SCHEMBL4390306 0.86 JAK2 (0.62) JAK2JAK3SYKHDAC1HDAC6

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 8 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
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

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 3/4885SYK 180/4885

“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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