SCHEMBL10185277

SCHEMBL10185277

O=C(O)c1cnn2cc(-c3cccnc3)ccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 7/20 0.51
MKNK2 Q9HBH9 7/20 0.51
JAK1 P23458 2/20 0.46
JAK3 P52333 2/20 0.46
KMO O15229 1/20 0.46
PIK3CA P42336 1/20 0.45
PIK3CG P48736 1/20 0.45
DHODH Q02127 1/20 0.45
NR4A2 P43354 1/20 0.44
ALDH1A1 P00352 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
JAK2 O60674 1/20 0.42
TYK2 P29597 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2A6 P11509 1/20 0.42
PIM1 P11309 1/20 0.41
PIM2 Q9P1W9 1/20 0.41

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
SCHEMBL3093126 0.87 JAK2 (0.48) JAK1JAK3DHODHJAK2TYK2
SCHEMBL27292381 0.82 KMO (0.45) MKNK1MKNK2JAK1JAK3KMO
SCHEMBL10185276 0.81 DCTPP1 (0.56) MKNK1MKNK2JAK1JAK3PIK3CA
SCHEMBL2290872 0.78 KDM4E (0.48) JAK1JAK3ALDH1A1JAK2TYK2
SCHEMBL25417211 0.78 CYP2A6 (0.48) MKNK1MKNK2PIK3CAPIK3CGALDH1A1
SCHEMBL30374360 0.78 CYP2A6 (0.48) MKNK1MKNK2PIK3CAPIK3CGALDH1A1
SCHEMBL26766290 0.77 CYP2A6 (0.47) MKNK1MKNK2PIK3CAPIK3CGNR4A2
SCHEMBL30363245 0.76 USP30 (0.54) MKNK1MKNK2PIK3CGPIM1PIM2
SCHEMBL14743514 0.74 JAK3 (0.48) JAK1JAK3ALDH1A1
SCHEMBL18029959 0.74 JAK1 (0.60) MKNK1MKNK2JAK1JAK3JAK2

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-20120040951-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. 2012-02-16 US disclosed
US-20120040951-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. 2012-02-16 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 (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-20120040951-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF MKNK1 133/4885MKNK2 180/4885JAK1 941/4885

“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.