SCHEMBL19636432

SCHEMBL19636432

N#C[C@@]1(c2cnc3c(N)ncnn23)O[C@H](CO)C(O)C1(Br)Br

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.34
▸ CDK5 Q00535 1/20 0.33
▸ CDK5R1 Q15078 1/20 0.33
▸ CCNA2 P20248 2/20 0.32
▸ CDK2 P24941 2/20 0.32
▸ CCNA1 P78396 2/20 0.32
▸ HSPA8 P11142 1/20 0.31
▸ ADK P55263 1/20 0.30
▸ ADORA2A P29274 1/20 0.30

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
SCHEMBL19632959 1.00 TMPRSS2 (0.34) TMPRSS2CDK5CDK5R1CCNA2CDK2
SCHEMBL19233543 0.90 TMPRSS2 (0.33) TMPRSS2CDK5CDK5R1CCNA2CDK2
SCHEMBL19229280 0.90 TMPRSS2 (0.33) TMPRSS2CDK5CDK5R1CCNA2CDK2
SCHEMBL15888888 0.88 ADORA2A (0.34) TMPRSS2CDK5CDK5R1HSPA8ADORA2A
SCHEMBL19632958 0.88 TMPRSS2 (0.35) TMPRSS2CDK5CDK5R1HSPA8ADORA2A
SCHEMBL19636441 0.88 TMPRSS2 (0.35) TMPRSS2CDK5CDK5R1HSPA8ADORA2A
SCHEMBL15682921 0.88 ADORA2A (0.34) TMPRSS2CDK5CDK5R1HSPA8ADORA2A
SCHEMBL12393294 0.87 ADORA2A (0.35) TMPRSS2CDK5CDK5R1HSPA8ADORA2A
SCHEMBL18480773 0.87 TMPRSS2 (0.33) TMPRSS2CDK5CDK5R1HSPA8
SCHEMBL18470920 0.87 TMPRSS2 (0.33) TMPRSS2CDK5CDK5R1HSPA8

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 TMPRSS2 2425/4885CDK5 4326/4885CDK5R1 4775/4885

“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