SCHEMBL4380880

SCHEMBL4380880

CC(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCN(C(=O)c5ccccn5)CC4)cc3)n2)cc1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 12/20 0.72
JAK3 P52333 5/20 0.62
NAMPT P43490 1/20 0.55
JAK1 P23458 2/20 0.54
TYK2 P29597 1/20 0.54
HDAC1 Q13547 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
FLT3 P36888 6/20 0.53
CDK1 P06493 1/20 0.53
CCNB1 P14635 1/20 0.53
CCNE1 P24864 1/20 0.53
CDK2 P24941 1/20 0.53
IKBKB O14920 1/20 0.52
CHUK O15111 1/20 0.52

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
SCHEMBL4379373 0.91 JAK2 (0.73) JAK2JAK3HDAC1HDAC6FLT3
SCHEMBL4383129 0.89 JAK2 (0.74) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL4379821 0.88 JAK2 (0.84) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL4380243 0.87 JAK2 (0.83) JAK2JAK3JAK1FLT3CDK1
SCHEMBL4382992 0.87 JAK2 (0.70) JAK2JAK3NAMPTJAK1TYK2
SCHEMBL4380141 0.87 JAK2 (0.70) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL4380253 0.86 JAK2 (0.75) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL4375062 0.86 JAK2 (0.75) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL4377230 0.86 JAK2 (0.72) JAK2JAK3JAK1TYK2HDAC1
SCHEMBL4384905 0.85 JAK2 (0.70) JAK2JAK3NAMPTJAK1TYK2

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-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO claimed
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-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 3/4885NAMPT 2930/4885

“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.