SCHEMBL21050260

SCHEMBL21050260

C#C[C@@]1([CH2])C[C@H](n2cnc3c(Cl)nc(F)nc32)C[C@H]1O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 4/20 0.37
▸ LMNA P02545 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ ADORA3 P0DMS8 5/20 0.32
▸ ADORA1 P30542 3/20 0.32
▸ ADORA2A P29274 2/20 0.32
▸ CHKA P35790 2/20 0.32
▸ HSP90AA1 P07900 2/20 0.31
▸ HSP90B1 P14625 2/20 0.31
▸ TMEM97 Q5BJF2 1/20 0.31
▸ SIGMAR1 Q99720 1/20 0.31
▸ NT5E P21589 1/20 0.31
▸ HIF1A Q16665 1/20 0.31

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
SCHEMBL21050318 0.87 AHCY (0.52) AHCYLMNAADORA3ADORA1ADORA2A
SCHEMBL21050278 0.87 NT5E (0.38) AHCYLMNATP53ADORA3ADORA1
SCHEMBL21050236 0.83 AHCY (0.38) AHCYLMNATP53ADORA3ADORA1
SCHEMBL21050315 0.83 AHCY (0.38) AHCYLMNATP53ADORA3ADORA1
SCHEMBL21050280 0.82 ADORA3 (0.52) LMNATP53ADORA3ADORA1ADORA2A
Phosphoric Acid SCHEMBL21050309 0.82 P2RY1 (0.36) AHCYCHKANT5E
Phosphoric Acid SCHEMBL21050313 0.82 P2RY1 (0.36) AHCYCHKANT5E
SCHEMBL21100356 0.77 AHCY (0.40) AHCYLMNATP53ADORA3ADORA1
SCHEMBL21100454 0.77 AHCY (0.38) AHCYLMNATP53ADORA3ADORA1
SCHEMBL21050319 0.74 LMNA (0.45) LMNATP53ADORA3ADORA1ADORA2A

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-11040975-B2 Carbocyclic nucleoside reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. (US) 2021-06-22 — — US disclosed
US-20190177326-A1 CARBOCYCLIC NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2019-06-13 — — 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-11040975-B2 Carbocyclic nucleoside reverse transcriptase inhibitors SAMHD1, POLRMT, RNGTT AHCY 206/4885LMNA 2815/4885TP53 4364/4885
US-20190177326-A1 CARBOCYCLIC NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS SAMHD1, POLRMT, RNGTT AHCY 206/4885LMNA 2815/4885TP53 4364/4885

“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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