SCHEMBL24393992

SCHEMBL24393992

CCNCCN(CC)c1ccc(C(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.42
ALDH1A1 P00352 3/20 0.41
TSHR P16473 2/20 0.41
CNR1 P21554 4/20 0.40
PSMD14 O00487 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40
RECQL P46063 1/20 0.40
GFER P55789 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
EGFR P00533 1/20 0.40
ERBB2 P04626 1/20 0.40
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
ALDH3A1 P30838 1/20 0.38
ALDH1A3 P47895 1/20 0.38
TYR P14679 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL21479425 0.87 CNR2 (0.40) CNR2ALDH1A1TSHRPSMD14CYP3A4
SCHEMBL8948376 0.83 ALDH1A1 (0.62) ALDH1A1TSHRPSMD14CYP3A4MAPK1
SCHEMBL20066465 0.80 CNR2 (0.47) CNR2ALDH1A1TSHRCNR1PSMD14
SCHEMBL10080950 0.80 ALDH1A1 (0.60) CNR2ALDH1A1TSHRCNR1PSMD14
SCHEMBL16173977 0.79 TSHR (0.50) CNR2ALDH1A1TSHRGFERMAPT
SCHEMBL10152990 0.77 CNR2 (0.45) CNR2ALDH1A1TSHRCNR1PSMD14
SCHEMBL27560802 0.77 ALDH1A1 (0.55) ALDH1A1TSHRPSMD14CYP3A4MAPK1
SCHEMBL19121455 0.73 ALDH1A1 (0.47) CNR2ALDH1A1TSHRCNR1PSMD14
SCHEMBL12056655 0.72 EGFR (0.46) CNR2ALDH1A1TSHRCNR1PSMD14
SCHEMBL20037608 0.71 KDM4E (0.33) ALDH1A1PSMD14MAPK1GFERMAPT

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-20220133736-A1 USES OF PYRIMIDOPYRIMIDINONES AS SIK INHIBITORS THE GENERAL HOSPITAL CORPORATION (US) 2022-05-05 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-20220133736-A1 USES OF PYRIMIDOPYRIMIDINONES AS SIK INHIBITORS SIK2, SIK1, SIK3 CNR2 4783/4885ALDH1A1 1744/4885TSHR 4019/4885

“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.