SCHEMBL4386948

SCHEMBL4386948

CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(NC(=O)C4CCN(C)CC4)c3)n2)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 14/20 0.64
JAK3 P52333 2/20 0.60
ABL1 P00519 1/20 0.60
PDGFRB P09619 1/20 0.60
BCR P11274 1/20 0.60
SRC P12931 1/20 0.60
PDGFRA P16234 1/20 0.60
HDAC1 Q13547 4/20 0.58
HDAC6 Q9UBN7 4/20 0.58
CCNT1 O60563 1/20 0.57
CCNE1 P24864 1/20 0.57
CDK2 P24941 1/20 0.57
CDK9 P50750 1/20 0.57
PLK1 P53350 1/20 0.56
IKBKB O14920 1/20 0.53
CHUK O15111 1/20 0.53
BRD4 O60885 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
SCHEMBL4383638 0.81 JAK2 (0.66) JAK2JAK3HDAC1HDAC6CCNT1
SCHEMBL4382638 0.80 JAK2 (0.78) JAK2JAK3ABL1PDGFRBBCR
SCHEMBL4381980 0.79 JAK2 (0.74) JAK2JAK3ABL1BCRSRC
SCHEMBL4385977 0.79 JAK2 (0.80) JAK2JAK3ABL1PDGFRBBCR
SCHEMBL4383037 0.78 JAK2 (0.59) JAK2JAK3ABL1BCRSRC
SCHEMBL4375081 0.78 JAK2 (1.00) JAK2JAK3ABL1PDGFRBBCR
SCHEMBL8084736 0.78 JAK2 (0.76) JAK2JAK3HDAC1HDAC6PLK1
SCHEMBL7475764 0.78 JAK2 (0.71) JAK2JAK3ABL1PDGFRBBCR
SCHEMBL4376481 0.78 JAK2 (0.76) JAK2JAK3ABL1BCRHDAC1
SCHEMBL4378752 0.78 JAK2 (1.00) JAK2JAK3ABL1PDGFRBBCR

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 7 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

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 3/4885ABL1 14/4885

“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.