SCHEMBL13066428

SCHEMBL13066428

CN1CC(C(=O)NCc2ccccn2)C=N1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
KDM4E B2RXH2 1/20 0.49
TSHR P16473 2/20 0.48
HPGD P15428 2/20 0.48
MAPK1 P28482 1/20 0.48
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
RECQL P46063 1/20 0.46

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
SCHEMBL13621106 0.74 GAA (0.67) SMN1; SMN2KDM4ETSHRMAPK1MEN1
SCHEMBL4964666 0.74 KMT2A (0.67) SMN1; SMN2KDM4ETSHRHPGDMAPK1
SCHEMBL10353314 0.72 TSHR (0.67) SMN1; SMN2KDM4ETSHRHPGDMAPK1
SCHEMBL8321173 0.70 TSHR (0.70) SMN1; SMN2KDM4ETSHRHPGDMAPK1
SCHEMBL10353331 0.70 TSHR (0.70) SMN1; SMN2KDM4ETSHRHPGDMAPK1
SCHEMBL29393091 0.70 SMN1; SMN2 (0.73) SMN1; SMN2KDM4EHPGDMEN1GAA
SCHEMBL48805 0.70 SMN1; SMN2 (0.73) SMN1; SMN2KDM4EHPGDMEN1GAA
SCHEMBL21065524 0.70 SMN1; SMN2 (0.79) SMN1; SMN2KDM4EMEN1GAAKMT2A
SCHEMBL30522589 0.70 SMN1; SMN2 (1.00) SMN1; SMN2KDM4EMEN1GAAKMT2A
SCHEMBL18415475 0.70 SMN1; SMN2 (1.00) SMN1; SMN2KDM4EMEN1GAAKMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286126-A1 Organic Compounds NOVARTIS AG (CH) 2010-11-11 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-20100286126-A1 Organic Compounds CYP3A43, SLCO1B3, CYP2C19 SMN1; SMN2 2150/4885KDM4E 3873/4885TSHR 1199/4885

“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.