SCHEMBL21372045

SCHEMBL21372045

C/C=C(/C)NC(=O)c1ncn(C(C)(C)C)c1N

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.59
LMNA P02545 1/20 0.59
PI4KA P42356 1/20 0.32
PI4K2B Q8TCG2 1/20 0.32
PI4K2A Q9BTU6 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
SCN9A Q15858 1/20 0.31
MAPT P10636 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
SCHEMBL26306010 0.86 ALDH1A1 (0.63) ALDH1A1LMNAPI4KAPI4K2BPI4K2A
SCHEMBL23188727 0.80 ALDH1A1 (0.59) ALDH1A1LMNAPI4KAPI4K2BPI4K2A
SCHEMBL13618229 0.75 LMNA (1.00) ALDH1A1LMNAPI4KAPI4K2BPI4K2A
SCHEMBL23921277 0.72 ALDH1A1 (0.56) ALDH1A1LMNAPI4KAPI4K2BPI4K2A
SCHEMBL21515841 0.68 ALDH1A1 (0.69) ALDH1A1LMNAPI4KAPI4K2BPI4K2A
SCHEMBL12702850 0.67 ALDH1A1 (0.49) ALDH1A1LMNAPI4KAPI4K2BPI4K2A
SCHEMBL21511160 0.67 ALDH1A1 (0.52) ALDH1A1LMNAPI4KAPI4K2BPI4K2A
SCHEMBL22946649 0.67 ALDH1A1 (0.56) ALDH1A1LMNAPI4KAPI4K2BPI4K2A
SCHEMBL21511227 0.66 ALDH1A1 (0.48) ALDH1A1LMNAPI4KAPI4K2BPI4K2A
SCHEMBL12702554 0.65 ALDH1A1 (0.50) ALDH1A1LMNAPI4KAPI4K2BPI4K2A

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-20190284216-A1 Cyclopentane-Based Modulators of STING (Stimulator of Interferon Genes) PFIZER INC. (US) 2019-09-19 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-20190284216-A1 Cyclopentane-Based Modulators of STING (Stimulator of Interferon Genes) STING1, IRF3, CGAS ALDH1A1 4742/4885LMNA 3781/4885PI4KA 2704/4885

“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.