SCHEMBL4460665

SCHEMBL4460665

COc1cccc(Nc2ncc(F)c(Nc3ccccc3OC)n2)c1

nearest known ligand 0.80

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SYK P43405 11/20 0.80
AURKA O14965 7/20 0.71
EGFR P00533 3/20 0.56
BTK Q06187 1/20 0.55
MAPK8 P45983 1/20 0.55
AURKB Q96GD4 1/20 0.55
CDK19 Q9BWU1 1/20 0.55

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
SCHEMBL654905 0.89 SYK (1.00) SYKAURKAEGFRBTKMAPK8
SCHEMBL655352 0.87 AURKA (0.77) SYKAURKAEGFRBTKMAPK8
SCHEMBL1038552 0.85 GLO1 (0.72) SYKAURKAEGFRBTK
SCHEMBL13185235 0.84 SYK (0.85) SYKAURKAEGFRBTK
SCHEMBL655134 0.80 SYK (0.77) SYKAURKA
SCHEMBL657059 0.80 SYK (0.77) SYKAURKA
SCHEMBL15007350 0.78 SYK (0.67) SYKAURKAEGFRMAPK8AURKB
SCHEMBL30878826 0.78 CYP1A2 (0.62) SYKEGFRMAPK8
SCHEMBL14771968 0.78 SYK (0.74) SYKAURKAEGFRBTK
SCHEMBL21443446 0.78 SYK (0.74) SYKAURKAEGFRBTK

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 SYK 180/4885AURKA 895/4885EGFR 259/4885

“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.