SCHEMBL19636433

SCHEMBL19636433

Nc1ncnn2c([C@@H]3O[C@H](CO)C(O)C3(Br)Br)cnc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 2/20 0.36
▸ ADK P55263 4/20 0.35
▸ ADORA3 P0DMS8 3/20 0.34
▸ DOT1L Q8TEK3 3/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ DPP4 P27487 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ SLC28A1 O00337 1/20 0.34
▸ MAP3K7 O43318 1/20 0.34
▸ SLC28A2 O43868 1/20 0.34
▸ GAPDH P04406 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ ADORA2B P29275 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ STAT6 P42226 1/20 0.34
▸ PI4KA P42356 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PI4K2B Q8TCG2 1/20 0.34
▸ SLC29A1 Q99808 1/20 0.34
▸ PI4K2A Q9BTU6 1/20 0.34

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
SCHEMBL19632732 1.00 ADORA2A (0.36) ADORA2AADKADORA3DOT1LSMN1; SMN2
SCHEMBL19229334 0.89 ADORA2A (0.35) ADORA2AADKADORA3DOT1LSMN1; SMN2
SCHEMBL19229288 0.89 ADORA2A (0.35) ADORA2AADKADORA3DOT1LSMN1; SMN2
SCHEMBL881381 0.86 ADORA2A (0.40) ADORA2AADKADORA3DOT1LSMN1; SMN2
SCHEMBL10149698 0.86 ADORA2A (0.40) ADORA2AADKADORA3DOT1LSMN1; SMN2
SCHEMBL15682919 0.86 ADORA2A (0.41) ADORA2AADKADORA3DOT1LSMN1; SMN2
SCHEMBL19636517 0.86 ADORA2A (0.36) ADORA2AADKADORA3DOT1LSMN1; SMN2
SCHEMBL19632727 0.86 ADORA2A (0.36) ADORA2AADKADORA3DOT1LSMN1; SMN2
SCHEMBL12253777 0.85 ADORA2A (0.47) ADORA2AADORA3DOT1LSMN1; SMN2DPP4
SCHEMBL13392121 0.85 ADORA2A (0.47) ADORA2AADORA3DOT1LSMN1; SMN2DPP4

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-20170334941-A1 2',2'-DIHALO NUCLEOSIDE ANALOGS FOR TREATMENT OF THE FLAVIVIRIDAE FAMILY OF VIRUSES AND CANCER EMORY UNIVERSITY 2017-11-23 — — 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-20170334941-A1 2',2'-DIHALO NUCLEOSIDE ANALOGS FOR TREATMENT OF THE FLAVIVIRIDAE FAMILY OF VIRUSES AND CANCER HAVCR2, DERA, EIF2AK2 ADORA2A 139/4885ADK 220/4885ADORA3 224/4885

“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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