SCHEMBL4378332

SCHEMBL4378332

O=C(CN1CCNCC1)Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 19/20 0.70
JAK3 P52333 14/20 0.70
JAK1 P23458 7/20 0.70
TYK2 P29597 5/20 0.68
HDAC1 Q13547 3/20 0.68
HDAC6 Q9UBN7 2/20 0.68
PDGFRB P09619 2/20 0.65
FLT3 P36888 2/20 0.65
PLK4 O00444 2/20 0.65
CIT O14578 2/20 0.65
GAK O14976 2/20 0.65
ROCK2 O75116 2/20 0.65
PRKD3 O94806 2/20 0.65
CSNK2A2 P19784 2/20 0.65
MARK3 P27448 2/20 0.65
MAPK8 P45983 2/20 0.65
NEK3 P51956 2/20 0.65
IKBKE Q14164 2/20 0.65
AAK1 Q2M2I8 2/20 0.65
ULK3 Q6PHR2 2/20 0.65

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
SCHEMBL4377953 0.94 JAK2 (0.76) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL4388941 0.92 JAK2 (0.74) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL4383889 0.91 JAK2 (0.73) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL4379953 0.86 JAK2 (0.79) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL4386747 0.86 JAK2 (0.79) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL14348363 0.85 JAK2 (0.64) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL4390385 0.85 JAK2 (0.80) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL4381934 0.85 JAK2 (0.78) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL4903416 0.84 JAK2 (0.62) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL4377966 0.84 JAK2 (0.70) JAK2JAK3JAK1TYK2HDAC1

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
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
CN-101421250-A 4-aryl-2-amino-pyrimidines or 4-aryl-2-aminoalkyl-pyrimidines as jak-2 modulators and pharmaceutical compositions containing them EXELIXIS INC (US) 2009-04-29 CN 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 3/4885JAK1 2/4885

“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.