SCHEMBL23867216

SCHEMBL23867216

CCCSc1nc(N[C@@H]2C[C@H]2c2ccccc2)c2ncn([C@@H]3C[C@H](c4nnn[nH]4)[C@@H](O)[C@H]3O)c2n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 17/20 0.60
▸ ADORA3 P0DMS8 2/20 0.44
▸ ADORA2A P29274 1/20 0.44
▸ ADORA1 P30542 1/20 0.44
▸ CYP2C9 P11712 1/20 0.43
▸ PGR P06401 1/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ DRD1 P21728 1/20 0.43
▸ TBXA2R P21731 1/20 0.43
▸ PTGS1 P23219 1/20 0.43
▸ SLC6A2 P23975 1/20 0.43
▸ FPR3 P25089 1/20 0.43
▸ PDE4A P27815 1/20 0.43
▸ GPR183 P32249 1/20 0.43
▸ DRD3 P35462 1/20 0.43
▸ SLC6A3 Q01959 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ PDE3A Q14432 1/20 0.43
▸ TMEM97 Q5BJF2 1/20 0.43
▸ SLC29A1 Q99808 1/20 0.43

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
SCHEMBL4224154 0.88 P2RY12 (0.76) P2RY12ADORA3CYP2C9PGRCHRM1
SCHEMBL4232361 0.88 P2RY12 (0.76) P2RY12ADORA3CYP2C9PGRCHRM1
SCHEMBL4010212 0.88 P2RY12 (0.76) P2RY12ADORA3CYP2C9PGRCHRM1
SCHEMBL4010214 0.88 P2RY12 (0.76) P2RY12ADORA3CYP2C9PGRCHRM1
SCHEMBL4012773 0.88 P2RY12 (0.76) P2RY12ADORA3CYP2C9PGRCHRM1
SCHEMBL4219168 0.88 P2RY12 (0.76) P2RY12ADORA3CYP2C9PGRCHRM1
SCHEMBL30464081 0.77 P2RY12 (0.61) P2RY12ADORA3ADORA2AADORA1CYP2C9
SCHEMBL21268660 0.77 P2RY12 (0.61) P2RY12ADORA3ADORA2AADORA1CYP2C9
SCHEMBL23057544 0.77 P2RY12 (0.61) P2RY12ADORA3ADORA2AADORA1CYP2C9
SCHEMBL13764365 0.77 P2RY12 (0.60) P2RY12ADORA3CYP2C9PGRCHRM1

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 P2RY12 22/4885ADORA3 37/4885ADORA2A 17/4885
US-20210299155-A1 METHODS OF MODULATING IMMUNE ACTIVITY STING1, IRF3, CGAS P2RY12 19/4885ADORA3 38/4885ADORA2A 21/4885

“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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