SCHEMBL19127764

SCHEMBL19127764

COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2/N=C\c2ccccc2)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 2/20 0.49
▸ TYMP P19971 8/20 0.48
▸ NT5E P21589 1/20 0.40
▸ P2RY12 Q9H244 1/20 0.39
▸ NNMT P40261 2/20 0.39
▸ TRDMT1 O14717 1/20 0.38
▸ CARM1 Q86X55 1/20 0.38

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
SCHEMBL29832246 1.00 ADORA1 (0.49) ADORA1TYMPNT5EP2RY12NNMT
SCHEMBL19127240 0.88 TYMP (0.45) ADORA1TYMPNT5ENNMT
SCHEMBL19127241 0.87 TYMP (0.46) ADORA1TYMPP2RY12
SCHEMBL19127992 0.86 TYMP (0.52) TYMPNT5E
SCHEMBL19127991 0.86 TYMP (0.52) TYMPNT5E
SCHEMBL7210212 0.85 ADORA1 (0.52) ADORA1TYMPNT5ETRDMT1CARM1
SCHEMBL28827070 0.84 ADORA1 (0.51) ADORA1TYMPNT5ETRDMT1CARM1
SCHEMBL19145869 0.84 ADORA3 (0.50) ADORA1P2RY12
SCHEMBL20637781 0.83 ADORA1 (0.50) ADORA1TYMPNT5ETRDMT1CARM1
SCHEMBL19927404 0.81 AHCY (0.53) ADORA1NT5EP2RY12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11505571-B2 Compounds and compositions for treating conditions associated with sting activity INNATE TUMOR IMMUNITY, INC. (US) 2022-11-22 — — US disclosed
US-20210147467-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY INNATE TUMOR IMMUNITY INC (US) 2021-05-20 — — US disclosed
US-10961270-B2 Compounds and compositions for treating conditions associated with sting activity INNATE TUMOR IMMUNITY, INC. (US) 2021-03-30 — — US disclosed
US-20200165288-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY INNATE TUMOR IMMUNITY INC (US) 2020-05-28 — — US disclosed
US-10604542-B2 Cyclic dinucleotides for treating conditions associated with sting activity such as cancer INNATE TUMOR IMMUNITY, INC. (US) 2020-03-31 — — US disclosed
US-20190016750-A1 CYCLIC DINUCLEOTIDES FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY SUCH AS CANCER Innate Tumoir Immunity, Inc. (US) 2019-01-17 — — US disclosed
EP-3402801-A1 CYCLIC DINUCLEOTIDES FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY SUCH AS CANCER Innate Tumor Immunity, Inc. (US) 2018-11-21 — — EP disclosed
WO-2017123669-A1 CYCLIC DINUCLEOTIDES FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY SUCH AS CANCER GLICK GARY (US) 2017-07-20 — — WO 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 (6 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-10961270-B2 Compounds and compositions for treating conditions associated with sting activity STING1, CGAS, IRF3 ADORA1 842/4885TYMP 2613/4885NT5E 1878/4885
US-20200165288-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 ADORA1 842/4885TYMP 2613/4885NT5E 1878/4885
US-11505571-B2 Compounds and compositions for treating conditions associated with sting activity STING1, CGAS, IRF3 ADORA1 842/4885TYMP 2613/4885NT5E 1878/4885
US-10604542-B2 Cyclic dinucleotides for treating conditions associated with sting activity such as cancer STING1, CGAS, IRF3 ADORA1 1007/4885TYMP 112/4885NT5E 179/4885
US-20190016750-A1 CYCLIC DINUCLEOTIDES FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY SUCH AS CANCER STING1, CGAS, IRF3 ADORA1 1007/4885TYMP 112/4885NT5E 179/4885
US-20210147467-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 ADORA1 842/4885TYMP 2613/4885NT5E 1878/4885

“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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