SCHEMBL18023969

SCHEMBL18023969

CC(C)(C)[Si](OC[C@@]1(N=[N+]=[N-])O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@H](F)[C@@H]1O)(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.41
▸ HINT1 P49773 4/20 0.40
▸ NT5E P21589 2/20 0.39
▸ GSK3A P49840 2/20 0.38
▸ RPS6KA3 P51812 2/20 0.38
▸ MAPK14 Q16539 2/20 0.38
▸ TAS1R3 Q7RTX0 1/20 0.38
▸ TAS1R1 Q7RTX1 1/20 0.38
▸ HPGD P15428 1/20 0.37
▸ KRAS P01116 2/20 0.37
▸ PNP P00491 1/20 0.37
▸ STING1 Q86WV6 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
SCHEMBL18024054 0.93 TAAR1 (0.43) TAAR1HINT1NT5EGSK3ARPS6KA3
SCHEMBL16214975 0.85 AHCY (0.44) NT5E
SCHEMBL16858617 0.83 ADORA3 (0.48) HINT1NT5ESTING1
SCHEMBL16858614 0.83 ADORA3 (0.48) HINT1NT5ESTING1
SCHEMBL18072191 0.83 ADORA3 (0.48) HINT1NT5ESTING1
SCHEMBL16214090 0.83 ADORA3 (0.48) HINT1NT5ESTING1
SCHEMBL18022446 0.82 HINT1 (0.46) HINT1NT5ESTING1
SCHEMBL19590280 0.79 TGM2 (0.48) NT5EKRASPNPSTING1
SCHEMBL16214185 0.79 TGM2 (0.48) NT5EKRASPNPSTING1
SCHEMBL16368349 0.79 TGM2 (0.48) NT5EKRASPNPSTING1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160237106-A1 4'-AZIDO SUBSTITUTED NUCLEOSIDE DERIVATIVES AS INHIBITORS OF EBOLA VIRUS RNA REPLICATION RIBOSCIENCE LLC (US) 2016-08-18 — — 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 (1 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-20160237106-A1 4'-AZIDO SUBSTITUTED NUCLEOSIDE DERIVATIVES AS INHIBITORS OF EBOLA VIRUS RNA REPLICATION RNMT, RNGTT, EIF2AK2 TAAR1 2303/4885HINT1 1490/4885NT5E 588/4885

“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.

Send feedback