SCHEMBL16747857

SCHEMBL16747857

Nc1ccccc1Nc1cncc(Cl)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 3/20 0.60
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
MAPK10 P53779 1/20 0.45
GAA P10253 6/20 0.44
MAPT P10636 6/20 0.43
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 4/20 0.43
LMNA P02545 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
GRM4 Q14833 1/20 0.43
KDM1A O60341 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
STAT1 P42224 1/20 0.41
TP53 P04637 1/20 0.41
APP P05067 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL16747866 0.79 KMT2A (0.54) KMT2AMEN1MAPK10GAAMAPT
SCHEMBL1678613 0.75 CDK2 (1.00) CDK2KMT2AMEN1MAPTKDM4E
SCHEMBL16748017 0.74 KMT2A (0.63) KMT2AMEN1MAPK10GAAMAPT
SCHEMBL20388229 0.74 GAA (0.51) KMT2AMEN1MAPK10GAAMAPT
SCHEMBL29581086 0.72 ALDH1A1 (0.58) KMT2AMEN1MAPK10GAAMAPT
SCHEMBL16747849 0.72 SCN5A (0.57) CDK2KMT2AMEN1GAAMAPT
SCHEMBL15452589 0.72 CDK2 (0.50) CDK2KMT2AMAPTKDM4EALDH1A1
SCHEMBL7913605 0.71 PDGFRB (0.59) KMT2AMEN1MAPK10GAAMAPT
SCHEMBL3146801 0.71 CDK2 (0.62) CDK2KMT2AMEN1MAPK10MAPT
SCHEMBL3847392 0.71 MAPK10 (0.50) KMT2AMEN1MAPK10GAAMAPT

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-20160280685-A1 SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS PTC THERAPEUTICS, INC. 2016-09-29 US disclosed
US-20160280685-A1 SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS PTC THERAPEUTICS, INC. 2016-09-29 US disclosed
WO-2015076800-A1 SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS PTC THERAPEUTICS, INC. (US) 2015-05-28 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-20160280685-A1 SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS BMI1, BAZ2A, BAZ2B CDK2 1415/4885KMT2A 132/4885MEN1 985/4885

“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.