SCHEMBL20152020

SCHEMBL20152020

Cn1cc(/C(=N/O)c2cncn2C)cn1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.36
DYRK1A Q13627 2/20 0.36
MKNK1 Q9BUB5 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31
CHEK1 O14757 1/20 0.31
IDO1 P14902 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
SCHEMBL1043911 0.78 ALDH1A1 (0.41) IDO1SMN1; SMN2
SCHEMBL1043912 0.78 ALDH1A1 (0.41) IDO1SMN1; SMN2
SCHEMBL20152019 0.78 GSK3B (0.43) GSK3BDYRK1AMKNK1MKNK2CHEK1
SCHEMBL20151744 0.75 ALDH1A1 (0.32) MKNK1MKNK2SMN1; SMN2GRNSORT1
SCHEMBL18228565 0.74 PKM (0.43) SMN1; SMN2RAB9A
SCHEMBL1046990 0.74 CES2 (0.34) IDO1
SCHEMBL1046991 0.74 CES2 (0.34) IDO1
SCHEMBL18239365 0.74 PKM (0.43) SMN1; SMN2RAB9A
SCHEMBL18228566 0.74 PKM (0.43) SMN1; SMN2RAB9A
SCHEMBL20151712 0.71 VNN1 (0.43) DYRK1A

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 GSK3B 965/4885DYRK1A 552/4885MKNK1 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.