SCHEMBL10330630

SCHEMBL10330630

ClN1CCC(Nc2nc(-c3ccccc3)c3ccccc3n2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
GAA P10253 2/20 0.51
KMT2A Q03164 2/20 0.51
NUDT1 P36639 2/20 0.51
MEN1 O00255 1/20 0.51
WHR1 P49842 1/20 0.50
SCN9A Q15858 1/20 0.47
ALDH1A1 P00352 4/20 0.46
HPGD P15428 4/20 0.46
KDM4E B2RXH2 3/20 0.46
GLA P06280 1/20 0.46
LMNA P02545 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
NTSR1 P30989 1/20 0.46
HTT P42858 1/20 0.46
APP P05067 3/20 0.45
BCHE P06276 2/20 0.45
ACHE P22303 2/20 0.45
NPY5R Q15761 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45

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
SCHEMBL22144608 0.87 NUDT1 (0.61) MAPTGAAKMT2ANUDT1MEN1
SCHEMBL4148241 0.81 MAPT (0.54) MAPTGAAKMT2ANUDT1MEN1
SCHEMBL4151543 0.81 EPHX1 (0.51) MAPTGAAKMT2ANUDT1MEN1
Hydrochloric Acid SCHEMBL5786969 0.80 MAPT (0.52) MAPTGAAKMT2ANUDT1MEN1
SCHEMBL4138428 0.79 TRPC3 (0.53) MAPTGAAKMT2ANUDT1MEN1
SCHEMBL4135859 0.79 TRPV1 (0.43) MAPTGAAKMT2ANUDT1MEN1
SCHEMBL4135603 0.78 FASN (0.47) MAPTGAAKMT2ANUDT1MEN1
SCHEMBL4134699 0.78 L3MBTL1 (0.48) MAPTGAAKMT2AMEN1WHR1
SCHEMBL4134698 0.77 KMT2A (0.47) MAPTGAAKMT2AMEN1ALDH1A1
SCHEMBL4134718 0.77 WHR1 (0.48) MAPTGAAKMT2ANUDT1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796294-B2 Inhibitors of the hedgehog pathway EXELIXIS PATENT COMPANY LLC (US) 2014-08-05 US disclosed
US-8754092-B2 Inhibitors of the hedgehog pathway EXELIXIS PATENT COMPANY LLC (US) 2014-06-17 US disclosed
US-20120245139-A1 INHIBITORS OF THE HEDGEHOG PATHWAY EXELIXIS PATENT COMPANY LLC (US) 2012-09-27 US disclosed
US-20120245139-A1 INHIBITORS OF THE HEDGEHOG PATHWAY EXELIXIS PATENT COMPANY LLC (US) 2012-09-27 US disclosed
US-20120238570-A1 INHIBITORS OF THE HEDGEHOG PATHWAY EXELIXIS PATENT COMPANY LLC (US) 2012-09-20 US disclosed
US-8222263-B2 Inhibitors of hedgehog pathway EXELIXIS PATENT COMPANY LLC (US) 2012-07-17 US disclosed
US-20090105211-A1 INHIBITORS OF HEDGEHOG PATHWAY EXELIXIS, INC. (US) 2009-04-23 US disclosed
WO-2008112913-A1 INHIBITORS OF THE HEDGEHOG PATHWAY EXELIXIS, INC. (US) 2008-09-18 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 (3 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-20120238570-A1 INHIBITORS OF THE HEDGEHOG PATHWAY SHH, GLI1, SMO MAPT 3255/4885GAA 3191/4885KMT2A 1451/4885
US-20090105211-A1 INHIBITORS OF HEDGEHOG PATHWAY SHH, GLI1, SMO MAPT 3269/4885GAA 3393/4885KMT2A 1508/4885
US-20120245139-A1 INHIBITORS OF THE HEDGEHOG PATHWAY SHH, GLI1, SMO MAPT 3255/4885GAA 3191/4885KMT2A 1451/4885

“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.