SCHEMBL8084884

SCHEMBL8084884

CCCCOc1cccc(Nc2nccc(-c3ccc(NC(C)=O)cc3)n2)c1

nearest known ligand 0.77

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 16/20 0.77
HDAC6 Q9UBN7 10/20 0.77
HDAC1 Q13547 9/20 0.77
JAK3 P52333 1/20 0.65
IKBKB O14920 1/20 0.60
PIK3CA P42336 1/20 0.59
PIK3CB P42338 1/20 0.59
PIK3CG P48736 1/20 0.59
PLK1 P53350 1/20 0.57

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
SCHEMBL4378762 0.89 JAK2 (0.72) JAK2HDAC6HDAC1JAK3IKBKB
SCHEMBL4380820 0.87 PIK3CG (0.75) JAK2HDAC6HDAC1JAK3IKBKB
SCHEMBL13588459 0.85 JAK2 (0.70) JAK2HDAC6HDAC1JAK3IKBKB
SCHEMBL4379051 0.84 JAK2 (0.68) JAK2HDAC6HDAC1JAK3
SCHEMBL4377665 0.82 JAK2 (0.76) JAK2HDAC6HDAC1JAK3IKBKB
SCHEMBL4378478 0.82 JAK2 (0.67) JAK2HDAC6HDAC1JAK3PLK1
SCHEMBL8084736 0.81 JAK2 (0.76) JAK2HDAC6HDAC1JAK3IKBKB
SCHEMBL4376822 0.81 JAK2 (0.68) JAK2HDAC6HDAC1JAK3IKBKB
SCHEMBL4381980 0.80 JAK2 (0.74) JAK2HDAC6HDAC1JAK3IKBKB
SCHEMBL4379852 0.80 JAK2 (0.82) JAK2HDAC6HDAC1JAK3IKBKB

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 JAK2 1/4885HDAC6 2522/4885HDAC1 2583/4885

“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.