SCHEMBL4383638

SCHEMBL4383638

CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(C(=O)N4CCN(C)CC4)c3)n2)cc1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 11/20 0.66
JAK3 P52333 1/20 0.61
CCNT1 O60563 1/20 0.55
CCNE1 P24864 1/20 0.55
CDK2 P24941 1/20 0.55
CDK9 P50750 1/20 0.55
HDAC1 Q13547 2/20 0.54
HDAC6 Q9UBN7 2/20 0.54
PLK1 P53350 1/20 0.54
MTOR P42345 1/20 0.53
SMG1 Q96Q15 1/20 0.53
SYK P43405 5/20 0.53

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
SCHEMBL4379068 0.94 JAK2 (0.66) JAK2JAK3CCNT1CCNE1CDK2
SCHEMBL4386036 0.94 JAK2 (0.71) JAK2JAK3HDAC1HDAC6PLK1
SCHEMBL4377438 0.93 JAK2 (0.72) JAK2JAK3CCNT1CDK2CDK9
SCHEMBL4378275 0.90 JAK2 (0.61) JAK2JAK3HDAC1HDAC6PLK1
SCHEMBL4378858 0.90 JAK2 (0.64) JAK2JAK3HDAC1HDAC6PLK1
SCHEMBL4377166 0.90 JAK2 (0.74) JAK2JAK3CCNT1CDK2CDK9
SCHEMBL4377680 0.90 JAK2 (0.64) JAK2JAK3CCNT1CDK2CDK9
SCHEMBL4379050 0.89 JAK2 (0.71) JAK2JAK3CCNT1CDK2CDK9
SCHEMBL4376974 0.89 JAK2 (0.67) JAK2JAK3HDAC1HDAC6PLK1
SCHEMBL4390306 0.89 JAK2 (0.62) JAK2JAK3HDAC1HDAC6PLK1

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 10 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-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 3/4885CCNT1 344/4885

“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.