SCHEMBL20151747

SCHEMBL20151747

Cn1cc(C(=O)c2cnnn2C)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
VNN1 O95497 1/20 0.39
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
DHX9 Q08211 1/20 0.38
HPGD P15428 1/20 0.37
MAPT P10636 1/20 0.36
CHEK1 O14757 1/20 0.36
RIPK1 Q13546 1/20 0.36
MAP4K4 O95819 1/20 0.35
HTT P42858 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CCNC P24863 2/20 0.34
CDK8 P49336 2/20 0.34
PIM1 P11309 1/20 0.34

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
SCHEMBL28147463 0.81 VNN1 (0.49) LMNAALDH1A1MKNK1MKNK2VNN1
SCHEMBL20151744 0.79 ALDH1A1 (0.32) LMNAALDH1A1MKNK1MKNK2SMN1; SMN2
SCHEMBL20152019 0.75 GSK3B (0.43) LMNAALDH1A1MKNK1MKNK2VNN1
SCHEMBL16633885 0.74 HSD11B1 (0.33) ALDH1A1SMN1; SMN2RAB9AMAPTHTT
SCHEMBL16460110 0.72 HTT (0.61) LMNASMN1; SMN2RAB9AHPGDHTT
SCHEMBL5702311 0.71 ALDH1A1 (0.52) LMNAALDH1A1VNN1SMN1; SMN2GRN
SCHEMBL334868 0.71
SCHEMBL248730 0.71
SCHEMBL17541003 0.71
SCHEMBL15309697 0.71 SMN1; SMN2 (0.42) LMNAALDH1A1MKNK1MKNK2VNN1

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 LMNA 3989/4885ALDH1A1 2858/4885MKNK1 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.