SCHEMBL9949514

SCHEMBL9949514

COCC(=O)N1CCC[C@H](C(=O)O)C1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.54
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
KDM4E B2RXH2 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
GRM3 Q14832 1/20 0.45
CREBBP Q92793 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.42
HPGD P15428 2/20 0.42
NPC1 O15118 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 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
SCHEMBL9949518 1.00 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1KDM4EL3MBTL1
SCHEMBL8271235 0.90 POLB (0.44) ALDH1A1KMT2AMEN1KDM4EL3MBTL1
SCHEMBL14949558 0.86 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1KDM4EL3MBTL1
SCHEMBL4002663 0.83 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1GRM3CREBBP
SCHEMBL3284527 0.83 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1KDM4EL3MBTL1
SCHEMBL12182476 0.81 MEN1 (0.58) ALDH1A1KMT2AMEN1KDM4ECREBBP
SCHEMBL13010 0.80 ALDH1A1 (0.65) ALDH1A1KMT2AMEN1KDM4EL3MBTL1
SCHEMBL12922 0.80 ALDH1A1 (0.65) ALDH1A1KMT2AMEN1KDM4EL3MBTL1
SCHEMBL20698377 0.80 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1KDM4EL3MBTL1
SCHEMBL20698378 0.80 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1KDM4EL3MBTL1

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-20120165306-A1 PYRAZINYLPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2012-06-28 US claimed
EP-2473505-A1 PYRAZINYLPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES Novartis AG (CH) 2012-07-11 EP disclosed
US-20120165306-A1 PYRAZINYLPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2012-06-28 US 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-20120165306-A1 PYRAZINYLPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES CDK4, CDK1, CCNI ALDH1A1 1528/4885KMT2A 611/4885MEN1 1282/4885

“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.