SCHEMBL23867066

SCHEMBL23867066

Cn1c(F)nc2c(=O)[nH]cnc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.44
▸ ATAD2 Q6PL18 1/20 0.41
▸ PDE4A P27815 3/20 0.40
▸ ADORA2A P29274 3/20 0.40
▸ ADORA2B P29275 3/20 0.40
▸ PDE4B Q07343 3/20 0.40
▸ PDE4C Q08493 3/20 0.40
▸ PDE4D Q08499 3/20 0.40
▸ PIK3CD O00329 1/20 0.40
▸ ALPL P05186 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ TMIGD3 P0DMS9 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ HPRT1 P00492 4/20 0.39
▸ PNP P00491 3/20 0.39
▸ BRD4 O60885 1/20 0.38
▸ PARP1 P09874 1/20 0.37
▸ MAPT P10636 2/20 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
SCHEMBL14441125 0.81 ALDH1A1 (0.45) ALDH1A1ATAD2PDE4AADORA2AADORA2B
SCHEMBL21579656 0.81 ALDH1A1 (0.45) ALDH1A1ATAD2PDE4AADORA2AADORA2B
SCHEMBL13202761 0.79 ADORA2A (0.51) ALDH1A1ATAD2PDE4AADORA2AADORA2B
SCHEMBL21273219 0.79 PARP1 (0.41) ALDH1A1ATAD2PDE4AADORA2AADORA2B
SCHEMBL5429613 0.75 ADORA2A (0.41) ALDH1A1ADORA2AADORA2BADORA3ADORA1
SCHEMBL5429656 0.71 MEN1 (0.51) ALDH1A1ADORA2AADORA2BADORA3ADORA1
SCHEMBL1992701 0.71 HPRT1 (0.54) ALDH1A1ADORA2AADORA1HPRT1PNP
SCHEMBL13587316 0.69 IP6K1 (0.45) ALDH1A1ADORA2AADORA2BADORA3ADORA1
SCHEMBL4379222 0.68 ALDH1A1 (0.50) ALDH1A1ATAD2PDE4AADORA2AADORA2B
SCHEMBL18520815 0.68 ADORA2A (0.64) ADORA2AADORA2BADORA3ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11376272-B2 Methods of modulating immune activity FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2022-07-05 — — US disclosed
US-20210299155-A1 METHODS OF MODULATING IMMUNE ACTIVITY FLAGSHIP PIONEERING INNOVATIONS V, INC. 2021-09-30 — — 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 (2 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-11376272-B2 Methods of modulating immune activity STING1, IRF3, CGAS ALDH1A1 4487/4885ATAD2 1348/4885PDE4A 70/4885
US-20210299155-A1 METHODS OF MODULATING IMMUNE ACTIVITY STING1, IRF3, CGAS ALDH1A1 4549/4885ATAD2 1518/4885PDE4A 83/4885

“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.

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