SCHEMBL20637782

SCHEMBL20637782

COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@H](O[SiH2]C(C)(C)C(C)C)[C@@H]2/N=C\c2ccccc2)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 4/20 0.44
▸ PRMT6 Q96LA8 1/20 0.43
▸ P2RY12 Q9H244 7/20 0.39
▸ PRKAG1 P54619 1/20 0.38
▸ PRKAA1 Q13131 1/20 0.38
▸ PRKAB1 Q9Y478 1/20 0.38
▸ ADORA2A P29274 1/20 0.37
▸ ADORA2B P29275 1/20 0.37

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
SCHEMBL19127241 0.89 TYMP (0.46) TYMPPRMT6P2RY12ADORA2AADORA2B
SCHEMBL7708120 0.80 TYMP (0.58) TYMPP2RY12ADORA2AADORA2B
SCHEMBL30396368 0.80 TYMP (0.58) TYMPP2RY12ADORA2AADORA2B
SCHEMBL6513309 0.80 TYMP (0.58) TYMPP2RY12ADORA2AADORA2B
SCHEMBL30091055 0.80 TYMP (0.58) TYMPP2RY12ADORA2AADORA2B
SCHEMBL23650062 0.80 TYMP (0.58) TYMPP2RY12ADORA2AADORA2B
SCHEMBL8380846 0.80 TYMP (0.51) TYMPPRMT6P2RY12ADORA2AADORA2B
SCHEMBL7705597 0.79 TYMP (0.52) TYMPPRMT6P2RY12ADORA2AADORA2B
SCHEMBL22033791 0.79 TYMP (0.55) TYMPPRMT6P2RY12PRKAG1PRKAA1
SCHEMBL22034224 0.79 TYMP (0.55) TYMPPRMT6P2RY12PRKAG1PRKAA1

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-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

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-10604542-B2 Cyclic dinucleotides for treating conditions associated with sting activity such as cancer STING1, CGAS, IRF3 TYMP 112/4885PRMT6 1684/4885P2RY12 630/4885
US-20190016750-A1 CYCLIC DINUCLEOTIDES FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY SUCH AS CANCER STING1, CGAS, IRF3 TYMP 112/4885PRMT6 1684/4885P2RY12 630/4885

“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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