SCHEMBL20698981

SCHEMBL20698981

Nc1nc2c(ncn2C2O[C@H](COP(=O)(O)O)C[C@@H]2N)c(=O)[nH]1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.57
▸ POLB P06746 1/20 0.56
▸ TGM2 P21980 1/20 0.53
▸ TAS1R3 Q7RTX0 2/20 0.53
▸ TAS1R1 Q7RTX1 2/20 0.53
▸ IMPDH2 P12268 6/20 0.52
▸ IMPDH1 P20839 2/20 0.52
▸ FUT5 Q11128 1/20 0.52
▸ HINT1 P49773 1/20 0.51
▸ HPRT1 P00492 1/20 0.50
▸ P2RY2 P41231 1/20 0.49
▸ P2RY4 P51582 1/20 0.49
▸ P2RY6 Q15077 1/20 0.49
▸ KRAS P01116 2/20 0.49
▸ PNP P00491 1/20 0.48
▸ STING1 Q86WV6 1/20 0.48

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
SCHEMBL5334255 0.92 FUT5 (0.58) NT5EPOLBTGM2FUT5HINT1
SCHEMBL20442306 0.92 NT5E (0.59) NT5EPOLBTGM2FUT5HINT1
SCHEMBL20442307 0.90 POLB (0.61) NT5EPOLBTGM2TAS1R3TAS1R1
SCHEMBL2922052 0.90 POLB (0.61) NT5EPOLBTGM2TAS1R3TAS1R1
SCHEMBL21636981 0.90 NT5E (0.56) NT5EPOLBTGM2TAS1R3TAS1R1
SCHEMBL21636997 0.90 NT5E (0.56) NT5EPOLBTGM2TAS1R3TAS1R1
SCHEMBL21417496 0.90 NT5E (0.56) NT5EPOLBTGM2TAS1R3TAS1R1
SCHEMBL23760838 0.87 NT5E (0.54) NT5EPOLBTGM2TAS1R3TAS1R1
SCHEMBL18158915 0.86 NT5E (0.53) NT5EPOLBTGM2TAS1R3TAS1R1
SCHEMBL13134477 0.85 POLB (0.68) NT5EPOLBTGM2TAS1R3TAS1R1

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-10723756-B2 Cyclic dinucleotides for treating conditions associated with STING activity such as cancer INNATE TUMOR IMMUNITY INC. (US) 2020-07-28 — — US disclosed
US-20190031708-A1 CYCLIC DINUCLEOTIDES FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY SUCH AS CANCER IFM THERAPEUTICS INC (US) 2019-01-31 — — 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-10723756-B2 Cyclic dinucleotides for treating conditions associated with STING activity such as cancer STING1, CGAS, IRF3 NT5E 288/4885POLB 167/4885TGM2 2165/4885
US-20190031708-A1 CYCLIC DINUCLEOTIDES FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY SUCH AS CANCER STING1, CGAS, IRF3 NT5E 196/4885POLB 23/4885TGM2 1124/4885

“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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