SCHEMBL4377396

SCHEMBL4377396

CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(C(=O)NCCc4ccccc4Cl)c3)n2)cc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 13/20 0.67
JAK3 P52333 1/20 0.59
ABL1 P00519 2/20 0.53
EGFR P00533 1/20 0.53
SRC P12931 1/20 0.53
HDAC1 Q13547 5/20 0.53
HDAC6 Q9UBN7 5/20 0.53
BCR P11274 1/20 0.52
CDC7 O00311 1/20 0.51
CDK19 Q9BWU1 1/20 0.51
PLK1 P53350 1/20 0.50
AKT3 Q9Y243 1/20 0.49
AURKA O14965 1/20 0.49
AURKB Q96GD4 1/20 0.49

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
SCHEMBL4382510 0.92 JAK2 (0.68) JAK2JAK3ABL1EGFRSRC
SCHEMBL4375458 0.91 JAK2 (0.64) JAK2JAK3ABL1EGFRSRC
SCHEMBL4558450 0.89 JAK2 (0.62) JAK2JAK3ABL1EGFRSRC
SCHEMBL4382352 0.89 JAK2 (0.70) JAK2JAK3ABL1EGFRSRC
SCHEMBL4378614 0.87 JAK2 (0.66) JAK2JAK3ABL1EGFRSRC
SCHEMBL4382545 0.87 JAK2 (0.69) JAK2JAK3ABL1EGFRSRC
SCHEMBL4378478 0.85 JAK2 (0.67) JAK2JAK3ABL1EGFRSRC
SCHEMBL4378743 0.85 JAK2 (0.67) JAK2JAK3ABL1EGFRSRC
SCHEMBL4384795 0.84 JAK2 (0.67) JAK2JAK3ABL1EGFRSRC
SCHEMBL4381439 0.84 CDC7 (0.71) JAK2JAK3ABL1EGFRSRC

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
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 3/4885ABL1 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.