SCHEMBL20151744

SCHEMBL20151744

Cn1cc(/C(=N/O)c2cnnn2C)cn1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MKNK1 Q9BUB5 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31
DHX9 Q08211 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
GRN P28799 1/20 0.31
SORT1 Q99523 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL20151747 0.79 LMNA (0.40) ALDH1A1LMNAMKNK1MKNK2DHX9
SCHEMBL20152020 0.75 GSK3B (0.36) MKNK1MKNK2SMN1; SMN2GRNSORT1
SCHEMBL20151712 0.68 VNN1 (0.43) ALDH1A1
SCHEMBL20151888 0.68 NAMPT (0.33) ALDH1A1LMNASMN1; SMN2GRNSORT1
SCHEMBL1576731 0.67 SMN1; SMN2 (0.36) ALDH1A1LMNAMKNK1MKNK2DHX9
SCHEMBL12719395 0.67 SMN1; SMN2 (0.36) ALDH1A1LMNAMKNK1MKNK2DHX9
SCHEMBL13306640 0.67 BRAF (0.43) ALDH1A1LMNAMKNK1MKNK2DHX9
SCHEMBL2726728 0.67 BRAF (0.43) ALDH1A1LMNAMKNK1MKNK2DHX9
SCHEMBL30852478 0.64 ALDH1A1 (0.39) ALDH1A1LMNAMKNK1MKNK2DHX9
SCHEMBL4562354 0.63

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-20190256499-A1 SUBSTITUTED QUINOXALINE DERIVATIVES AS INHIBITORS OF PFKFB MERCK PATENT GMBH (DE) 2019-08-22 US disclosed
WO-2018087021-A1 SUBSTITUTED QUINOXALINE DERIVATIVES AS INHIBITORS OF PFKFB MERCK PATENT GMBH (DE) 2018-05-17 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-20190256499-A1 SUBSTITUTED QUINOXALINE DERIVATIVES AS INHIBITORS OF PFKFB PFKFB1, PFKFB2, PFKFB4 ALDH1A1 2858/4885LMNA 3989/4885MKNK1 89/4885

“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.