SCHEMBL4095077

SCHEMBL4095077

NCc1nc(Nc2ccccc2)c2ccccc2n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 5/20 0.60
ABCG2 Q9UNQ0 3/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
PDE5A O76074 6/20 0.55
CLK4 Q9HAZ1 4/20 0.51
DAPK3 O43293 1/20 0.51
MAP4K4 O95819 1/20 0.51
ABL1 P00519 1/20 0.51
EGFR P00533 1/20 0.51
ERBB2 P04626 1/20 0.51
PIM1 P11309 1/20 0.51
PRKACA P17612 1/20 0.51
LTK P29376 1/20 0.51
MAPK8 P45983 1/20 0.51
CSNK1A1 P48729 1/20 0.51
RPS6KA3 P51812 1/20 0.51
LIMK1 P53667 1/20 0.51
MAP2K1 Q02750 1/20 0.51
ACVR1 Q04771 1/20 0.51

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
SCHEMBL3970144 0.83 NPY5R (0.60) NPY5RABCG2MEN1KMT2APDE5A
SCHEMBL2255119 0.83 NPY5R (0.60) NPY5RABCG2MEN1KMT2APDE5A
SCHEMBL4095242 0.82 NPY5R (0.58) NPY5RABCG2MEN1KMT2APDE5A
SCHEMBL2256529 0.80 NPY5R (0.55) NPY5RABCG2MEN1KMT2APDE5A
SCHEMBL4093298 0.78 APP (0.65) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL4969317 0.77 NPY5R (0.66) NPY5RABCG2MEN1KMT2APDE5A
Acetonitrile SCHEMBL28943325 0.77 NPY5R (0.53) NPY5RABCG2MEN1KMT2APDE5A
Hydrochloric Acid SCHEMBL8892043 0.76 NPY5R (0.72) NPY5RPOLBSMN1; SMN2SLC2A1ALOX15
SCHEMBL2591063 0.75 NPY5R (1.00) NPY5RABCG2MEN1KMT2APDE5A
SCHEMBL10135256 0.74 NPY5R (0.67) NPY5RABCG2MEN1KMT2APDE5A

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-20090209536-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-08-20 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-20090209536-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE CNR2, CNR1, GPR18 NPY5R 201/4885ABCG2 3127/4885MEN1 718/4885

“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.