SCHEMBL9918231

SCHEMBL9918231

C#CCC(c1cncc(-c2cnn(C)c2)c1)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.40
MKNK2 Q9HBH9 2/20 0.40
INPPL1 O15357 1/20 0.36
DYRK1A Q13627 2/20 0.34
AURKA O14965 1/20 0.34
TTK P33981 1/20 0.34
AURKB Q96GD4 1/20 0.34
INCENP Q9NQS7 1/20 0.34
CYP11B2 P19099 2/20 0.33
FGFR1 P11362 1/20 0.33
FGFR2 P21802 1/20 0.33
FGFR4 P22455 1/20 0.33
FGFR3 P22607 1/20 0.33
KDR P35968 1/20 0.33
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32
PFKFB3 Q16875 3/20 0.32
DYRK1B Q9Y463 1/20 0.32

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
SCHEMBL10315623 0.87 MKNK1 (0.40) MKNK1MKNK2INPPL1DYRK1AAURKA
SCHEMBL9918232 0.81 CTSK (0.32) CYP11B2CYP11B1
SCHEMBL9918876 0.79 CTSL (0.44) MKNK1MKNK2CYP11B2CYP11B1
SCHEMBL13086621 0.77 MKNK1 (0.49) MKNK1MKNK2INPPL1DYRK1AAURKA
SCHEMBL12304985 0.76 MKNK1 (0.41) MKNK1MKNK2INPPL1DYRK1ACYP11B2
SCHEMBL18228546 0.75 MKNK1 (0.50) MKNK1MKNK2INPPL1DYRK1AAURKA
SCHEMBL18239336 0.75 MKNK1 (0.50) MKNK1MKNK2INPPL1DYRK1AAURKA
SCHEMBL14790978 0.72 PYCR1 (0.31)
SCHEMBL9918873 0.72 CYP2A6 (0.33)
SCHEMBL9918848 0.70 RAF1 (0.32) CYP11B2CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2013-03-21 US disclosed
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US 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 (2 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-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 MKNK1 85/4885MKNK2 121/4885INPPL1 890/4885
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 MKNK1 77/4885MKNK2 108/4885INPPL1 905/4885

“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.