SCHEMBL21025762

SCHEMBL21025762

CC(C)(C)c1ccc2cn(CC3CC3)nc2c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.42
CNR2 P34972 3/20 0.35
KCNH2 Q12809 1/20 0.35
IRAK4 Q9NWZ3 3/20 0.33
HRH4 Q9H3N8 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
CRHR2 Q13324 1/20 0.33
KDM2B Q8NHM5 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PI4KA P42356 1/20 0.33
PIK3CG P48736 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
F2RL3 Q96RI0 2/20 0.32
OPRD1 P41143 1/20 0.32

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
SCHEMBL21025968 0.89 CRHR1 (0.42) CRHR1CNR2KCNH2IRAK4CRHR2
SCHEMBL17678027 0.81 CRHR1 (0.38) CRHR1IRAK4KDM2BPIK3CDPIK3CA
SCHEMBL19279762 0.78 HTR7 (0.38) CRHR1IRAK4KDM2BPIK3CDPIK3CA
SCHEMBL3389492 0.78 ALDH1A1 (0.50) CRHR1KCNH2HRH3PIK3CDPIK3CA
SCHEMBL30995477 0.78 CRHR1 (0.42) CRHR1HRH3PIK3CDPIK3CAPIK3CB
SCHEMBL21026068 0.74 IRAK4 (0.41) CNR2KCNH2IRAK4F2RL3
SCHEMBL28217862 0.73 CRHR1 (0.50) CRHR1KDM2BPIK3CDPIK3CAPIK3CB
SCHEMBL13432210 0.72 CRHR1 (0.38) CRHR1IRAK4KDM2BPIK3CDPIK3CA
SCHEMBL12319284 0.72 MAPT (0.58) KCNH2HRH4HRH3SCN10AF2RL3
SCHEMBL5137202 0.71 NPC1 (0.39) CRHR1KCNH2KDM2B

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-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. 2019-05-23 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-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES HPSE, GAA, MAN2B1 CRHR1 2178/4885CNR2 3059/4885KCNH2 4772/4885

“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.