SCHEMBL20152019

SCHEMBL20152019

Cn1cc(C(=O)c2cncn2C)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.43
DYRK1A Q13627 2/20 0.43
VNN1 O95497 1/20 0.40
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
CHEK1 O14757 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
GRN P28799 1/20 0.38
SORT1 Q99523 1/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
IDO1 P14902 1/20 0.36
RIPK1 Q13546 1/20 0.35
DHX9 Q08211 1/20 0.35
HTT P42858 1/20 0.34
RBP4 P02753 1/20 0.34
PREP P48147 1/20 0.33

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
SCHEMBL6010185 0.80 IDO1 (0.41) LMNAALDH1A1IDO1RBP4PREP
SCHEMBL28147463 0.80 VNN1 (0.49) VNN1MKNK1MKNK2CHEK1SMN1; SMN2
SCHEMBL20152020 0.78 GSK3B (0.36) GSK3BDYRK1AMKNK1MKNK2CHEK1
SCHEMBL15647920 0.77 HCAR2 (0.42) VNN1ALDH1A1IDO1HTTRBP4
SCHEMBL1045351 0.76 MEN1 (0.46) LMNAALDH1A1L3MBTL1IDO1HTT
SCHEMBL15646669 0.76 MAPT (0.49) LMNAALDH1A1L3MBTL1IDO1HTT
SCHEMBL20151747 0.75 LMNA (0.40) VNN1MKNK1MKNK2CHEK1SMN1; SMN2
SCHEMBL13461742 0.75 HTT (0.47) SMN1; SMN2RAB9ALMNAALDH1A1HPGD
SCHEMBL15202096 0.75 ALDH1A1 (0.50) GSK3BDYRK1ASMN1; SMN2RAB9ALMNA
SCHEMBL15648234 0.73 CYP19A1 (0.42) RAB9ALMNAALDH1A1HPGDIDO1

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 552/4885VNN1 1364/4885

“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.