SCHEMBL4378231

SCHEMBL4378231

CCN(CC)CCOc1ccc(Nc2nccc(-c3ccc(NC(C)=O)cc3)n2)cc1N1CCN(CC)CC1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 14/20 0.51
JAK3 P52333 1/20 0.47
ZAP70 P43403 1/20 0.47
ABL1 P00519 1/20 0.47
BCR P11274 1/20 0.47
RAD52 P43351 1/20 0.46
RECQL P46063 1/20 0.46
BLM P54132 1/20 0.46
HDAC6 Q9UBN7 7/20 0.45
HDAC1 Q13547 6/20 0.45
IKBKB O14920 2/20 0.44
CHUK O15111 1/20 0.44

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
SCHEMBL4379779 0.83 ZAP70 (0.60) JAK2JAK3ZAP70RAD52RECQL
SCHEMBL4377671 0.79 JAK2 (0.80) JAK2JAK3RAD52RECQLBLM
SCHEMBL4383532 0.75 JAK2 (0.64) JAK2JAK3ABL1BCRHDAC6
SCHEMBL4378157 0.75 JAK2 (0.66) JAK2JAK3RAD52RECQLBLM
SCHEMBL4385351 0.75 ZAP70 (0.57) JAK2JAK3ZAP70
SCHEMBL4385303 0.74 JAK2 (0.68) JAK2JAK3HDAC6HDAC1IKBKB
SCHEMBL4377094 0.74 JAK2 (0.61) JAK2JAK3RAD52RECQLBLM
SCHEMBL4378275 0.74 JAK2 (0.61) JAK2JAK3HDAC6HDAC1
SCHEMBL4383750 0.73 JAK2 (0.78) JAK2JAK3HDAC6HDAC1
SCHEMBL4383183 0.73 JAK2 (0.57) JAK2JAK3RAD52RECQLBLM

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
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 3/4885ZAP70 38/4885

“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.