SCHEMBL15730258

SCHEMBL15730258

CNC(=O)c1ccc(-c2cccnc2C)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 3/20 0.68
MKNK2 Q9HBH9 3/20 0.68
RIPK1 Q13546 1/20 0.53
PLK1 P53350 2/20 0.50
RPS6KA3 P51812 1/20 0.47
DHODH Q02127 1/20 0.46
BRAF P15056 1/20 0.46
HDAC6 Q9UBN7 2/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
BAZ2B Q9UIF8 1/20 0.44
P2RX7 Q99572 1/20 0.44
TRPV1 Q8NER1 2/20 0.44
ABL1 P00519 1/20 0.43
CA2 P00918 1/20 0.42
CHEK2 O96017 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL15730183 0.84 MKNK1 (0.55) MKNK1MKNK2RIPK1PLK1DHODH
SCHEMBL15730264 0.84 MKNK1 (0.51) MKNK1MKNK2RIPK1PLK1HDAC6
SCHEMBL15723882 0.82 MKNK1 (0.52) MKNK1MKNK2RIPK1PLK1RPS6KA3
SCHEMBL15730260 0.81 MKNK1 (0.49) MKNK1MKNK2RIPK1PLK1RPS6KA3
SCHEMBL15730267 0.81 MKNK1 (1.00) MKNK1MKNK2RIPK1DHODHCHEK2
SCHEMBL23501959 0.81 MKNK1 (0.51) MKNK1MKNK2RIPK1PLK1RPS6KA3
SCHEMBL17066911 0.81 MKNK1 (0.51) MKNK1MKNK2RIPK1PLK1RPS6KA3
SCHEMBL12954793 0.80 MKNK1 (0.60) MKNK1MKNK2RIPK1PLK1HDAC6
SCHEMBL15730265 0.78 MKNK1 (0.68) MKNK1MKNK2DHODHCHEK2HPGD
SCHEMBL18853780 0.77 PDK2 (0.49) MKNK1MKNK2DHODHP2RX7ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-05-18 US disclosed
US-9540343-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2017-01-10 US disclosed
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2014-05-22 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-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN MKNK1 2159/4885MKNK2 2342/4885RIPK1 2275/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN MKNK1 2159/4885MKNK2 2342/4885RIPK1 2275/4885

“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.