SCHEMBL21169150

SCHEMBL21169150

CC(C)CCc1nc(C(C)(C)C)no1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SORT1 Q99523 1/20 0.36
AAK1 Q2M2I8 2/20 0.33
NAMPT P43490 1/20 0.33
PIK3CG P48736 1/20 0.32
RAB9A P51151 2/20 0.32
NR2F2 P24468 1/20 0.32
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
KLF5 Q13887 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL19049305 0.86 PIK3CG (0.30) PIK3CG
SCHEMBL6371421 0.84 CNR2 (0.34) PIK3CG
SCHEMBL18997069 0.79 PIK3CG (0.34) PIK3CGRAB9ATP53KLF5SMN1; SMN2
SCHEMBL16544514 0.79 SMN1; SMN2 (0.41) PIK3CGRAB9ALMNATP53KLF5
SCHEMBL1785672 0.77 PIK3CG (0.37) PIK3CGRAB9ATP53KLF5SMN1; SMN2
SCHEMBL2608946 0.76 MAPT (0.44) SORT1AAK1NAMPTRAB9ANR2F2
SCHEMBL23222124 0.76 PPARA (0.38) PIK3CGRAB9ALMNATP53KLF5
SCHEMBL15945547 0.76 CNR1 (0.33) PIK3CGRAB9ATP53KLF5SMN1; SMN2
Hydrochloric Acid SCHEMBL3712081 0.76 PIK3CG (0.36) PIK3CGRAB9ATP53KLF5SMN1; SMN2
SCHEMBL22576485 0.75 SORT1 (0.39) SORT1AAK1NAMPTRAB9ANR2F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11247984-B2 Uracil containing compounds CV6 THERAPEUTICS (NI) LIMITED (GB) 2022-02-15 US disclosed
US-10870657-B2 Compounds for the treatment of cancer and inflammatory disease SHY Therapeutics LLC (US) 2020-12-22 US disclosed
US-20200039966-A1 URACIL CONTAINING COMPOUNDS CV6 THERAPEUTICS (NI) LIMITED (GB) 2020-02-06 US disclosed
US-20190218229-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMTORY DISEASE SHY Therapeutics LLC 2019-07-18 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 (4 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-20190218229-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMTORY DISEASE MAPK1, MAPK6, MAP3K1 SORT1 4185/4885AAK1 337/4885NAMPT 373/4885
US-10870657-B2 Compounds for the treatment of cancer and inflammatory disease MAPK6, MAP3K6, MAPK4 SORT1 4113/4885AAK1 478/4885NAMPT 440/4885
US-20200039966-A1 URACIL CONTAINING COMPOUNDS UNG, DPYD, DUT SORT1 4655/4885AAK1 3260/4885NAMPT 218/4885
US-11247984-B2 Uracil containing compounds UNG, DPYD, DUT SORT1 4655/4885AAK1 3260/4885NAMPT 218/4885

“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.