SCHEMBL4386919

SCHEMBL4386919

Nc1cccc(Nc2nccc(-c3ccccc3)n2)c1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 5/20 0.82
BCR P11274 4/20 0.82
SRC P12931 2/20 0.82
EGFR P00533 2/20 0.78
PRKACA P17612 1/20 0.78
PRKACG P22612 1/20 0.78
PRKACB P22694 1/20 0.78
CDK5 Q00535 2/20 0.73
CAMK2D Q13557 2/20 0.72
PLK1 P53350 1/20 0.66
PIK3CG P48736 4/20 0.62
MAPK8 P45983 3/20 0.62
GSK3B P49841 2/20 0.62
CAMKK2 Q96RR4 2/20 0.62
MEN1 O00255 1/20 0.62
NPC1 O15118 1/20 0.62
RAB9A P51151 1/20 0.62
KMT2A Q03164 1/20 0.62
CDK5R1 Q15078 1/20 0.62
CDK4 P11802 1/20 0.60

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
SCHEMBL823915 0.93 CAMK2D (0.82) ABL1BCRSRCEGFRPRKACA
SCHEMBL2944432 0.91 ABL1 (0.82) ABL1BCRSRCEGFRPRKACA
SCHEMBL27444270 0.91 PLK1 (0.78) ABL1BCRSRCEGFRPRKACA
SCHEMBL1789 0.90 ABL1 (1.00) ABL1BCRSRCEGFRPRKACA
SCHEMBL1465 0.88 ABL1 (1.00) ABL1BCRSRCEGFRPRKACA
SCHEMBL5471964 0.87 ABL1 (0.71) ABL1BCRSRCEGFRPRKACA
SCHEMBL14530851 0.87 PLK1 (0.75) ABL1BCRSRCEGFRPRKACA
SCHEMBL1593016 0.85 PRKCD (0.79) ABL1BCRSRCEGFRCAMK2D
SCHEMBL4903508 0.84 ABL1 (0.67) ABL1BCRSRCEGFRPRKACA
SCHEMBL12801709 0.84 CAMK2D (1.00) ABL1BCRSRCEGFRPRKACA

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 4 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-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 ABL1 14/4885BCR 1633/4885SRC 225/4885

“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.