SCHEMBL4381621

SCHEMBL4381621

CC(=O)Nc1ccc(-c2nc(Nc3cccc(NC(=O)c4c(Cl)cccc4Cl)c3)ncc2F)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 8/20 0.69
JAK1 P23458 1/20 0.50
TYK2 P29597 1/20 0.50
MAP3K5 Q99683 2/20 0.49
ABL1 P00519 2/20 0.49
AURKA O14965 2/20 0.48
AURKB Q96GD4 2/20 0.48
PDGFRB P09619 1/20 0.48
SRC P12931 1/20 0.48
PDGFRA P16234 1/20 0.48
MAPK14 Q16539 1/20 0.48
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
EGFR P00533 1/20 0.46
CCNT1 O60563 1/20 0.46
CCNE1 P24864 1/20 0.46
CDK2 P24941 1/20 0.46

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
SCHEMBL13588620 0.94 JAK2 (0.61) JAK2JAK1TYK2MAP3K5ABL1
SCHEMBL4378262 0.90 JAK2 (0.70) JAK2JAK1TYK2MAP3K5ABL1
SCHEMBL13588617 0.86 JAK2 (0.65) JAK2JAK1TYK2MAP3K5ABL1
SCHEMBL4381684 0.82 JAK2 (0.59) JAK2MAP3K5ALDH1A1EGFRCCNT1
SCHEMBL4375081 0.82 JAK2 (1.00) JAK2JAK1TYK2ABL1AURKA
SCHEMBL4379855 0.81 JAK2 (0.59) JAK2MAP3K5ABL1ALDH1A1HDAC1
SCHEMBL4378411 0.76 JAK2 (0.82) JAK2JAK1TYK2ABL1AURKA
SCHEMBL4375557 0.76 JAK2 (0.79) JAK2ABL1PDGFRBSRCPDGFRA
SCHEMBL4378189 0.76 JAK2 (0.77) JAK2ABL1AURKAAURKBPDGFRB
SCHEMBL4378751 0.75 JAK2 (0.88) JAK2AURKAHDAC1HDAC6

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 1/4885JAK1 2/4885TYK2 16/4885

“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.