SCHEMBL17106736

SCHEMBL17106736

CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](n2cc(I)c3c(N)ncnc32)O[C@@H]1CO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 16/20 0.48
▸ MTOR P42345 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ HASPIN Q8TF76 1/20 0.41
▸ STING1 Q86WV6 1/20 0.40
▸ DOT1L Q8TEK3 1/20 0.40
▸ DCLK1 O15075 1/20 0.40
▸ DAPK3 O43293 1/20 0.40
▸ DYRK3 O43781 1/20 0.40
▸ CDK1 P06493 1/20 0.40
▸ ROS1 P08922 1/20 0.40
▸ RPS6KB1 P23443 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ FLT3 P36888 1/20 0.40
▸ CSNK1A1 P48729 1/20 0.40
▸ CSNK1D P48730 1/20 0.40
▸ CLK2 P49760 1/20 0.40
▸ IRAK1 P51617 1/20 0.40
▸ CDK5 Q00535 1/20 0.40
▸ DYRK1A Q13627 1/20 0.40

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
SCHEMBL17111224 0.90 ADK (0.47) ADKMTORRAB9AHASPIN
SCHEMBL17106786 0.90 ADK (0.47) ADKMTORRAB9AHASPIN
SCHEMBL17111225 0.90 ADK (0.47) ADKMTORRAB9AHASPIN
SCHEMBL19603990 0.89 ADK (0.53) ADKSLC29A1
SCHEMBL17106775 0.89 PRMT5 (0.40) ADKRAB9ADOT1L
SCHEMBL17106707 0.89 METTL3 (0.48) ADKRAB9ADOT1L
SCHEMBL17106819 0.89 PRMT5 (0.48) ADK
SCHEMBL10022898 0.82 ADK (0.52) ADKMTORRAB9AHASPINSTING1
SCHEMBL2611651 0.82 ADK (0.52) ADKMTORRAB9AHASPINSTING1
SCHEMBL14160690 0.82 ADK (0.52) ADKMTORRAB9AHASPINSTING1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180002366-A1 4'-SUBSTITUTED NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-01-04 — — US disclosed
US-9777035-B2 4′-substituted nucleoside reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-10-03 — — US disclosed
US-20150274767-A1 4'-SUBSTITUTED NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-10-01 — — 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-20180002366-A1 4'-SUBSTITUTED NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS DUT, HPRT1, RNGTT ADK 731/4885MTOR 3591/4885RAB9A 2867/4885
US-20150274767-A1 4'-SUBSTITUTED NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS DUT, HPRT1, RNGTT ADK 731/4885MTOR 3591/4885RAB9A 2867/4885

“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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