SCHEMBL4084496

SCHEMBL4084496

NCc1nc(N2CCCC2)c2ccccc2n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.60
TSHR P16473 4/20 0.60
HSD17B10 Q99714 2/20 0.60
GLA P06280 1/20 0.60
GAA P10253 1/20 0.60
HPGD P15428 1/20 0.60
ACP1 P24666 2/20 0.59
KDM4E B2RXH2 4/20 0.58
MAPK1 P28482 3/20 0.58
ATM Q13315 2/20 0.58
CTDSP1 Q9GZU7 1/20 0.58
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
TLR7 Q9NYK1 1/20 0.56
USP2 O75604 1/20 0.54
TP53 P04637 1/20 0.54
HTT P42858 1/20 0.54
PDE10A Q9Y233 1/20 0.53
ALDH1A1 P00352 3/20 0.52
LMNA P02545 3/20 0.52

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
SCHEMBL4091816 0.87 KDM4E (0.64) TSHRHSD17B10GLAGAAHPGD
SCHEMBL637946 0.84 L3MBTL1 (0.60) L3MBTL1TSHRHSD17B10GLAGAA
SCHEMBL638412 0.83 L3MBTL1 (0.63) L3MBTL1TSHRHSD17B10GLAGAA
SCHEMBL4092268 0.83 L3MBTL1 (0.63) L3MBTL1TSHRHSD17B10GLAGAA
SCHEMBL27492494 0.83 KMT2A (0.64) L3MBTL1TSHRHSD17B10GLAGAA
SCHEMBL4089423 0.82 NPY5R (0.59) L3MBTL1TSHRHSD17B10GLAGAA
SCHEMBL460158 0.80 TSHR (0.58) L3MBTL1TSHRHSD17B10GLAGAA
SCHEMBL4096964 0.77 MEN1 (0.57) L3MBTL1TSHRHSD17B10GLAGAA
SCHEMBL11738679 0.77 L3MBTL1 (0.97) L3MBTL1TSHRHSD17B10GLAGAA
SCHEMBL30454930 0.77 L3MBTL1 (0.97) L3MBTL1TSHRHSD17B10GLAGAA

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-20090209536-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-08-20 US disclosed
WO-2008157500-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2008-12-24 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-20090209536-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE CNR2, CNR1, GPR18 L3MBTL1 3667/4885TSHR 3396/4885HSD17B10 4195/4885

“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.