SCHEMBL21050237

SCHEMBL21050237

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.45
▸ TP53 P04637 2/20 0.45
▸ ADORA3 P0DMS8 9/20 0.43
▸ ADORA1 P30542 7/20 0.43
▸ HSP90AA1 P07900 2/20 0.41
▸ HSP90B1 P14625 2/20 0.41
▸ HTR2B P41595 7/20 0.40
▸ HTR2C P28335 5/20 0.40
▸ TMIGD3 P0DMS9 3/20 0.40
▸ PNP P00491 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ PDE3A Q14432 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ ADORA2A P29274 5/20 0.37
▸ TMEM97 Q5BJF2 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37
▸ NT5E P21589 1/20 0.37
▸ SLC6A3 Q01959 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
SCHEMBL21050319 1.00 LMNA (0.45) LMNATP53ADORA3ADORA1HSP90AA1
SCHEMBL21050284 0.90 ADORA3 (0.54) LMNATP53ADORA3ADORA1HSP90AA1
SCHEMBL21050250 0.90 AHCY (0.39) LMNATP53ADORA3ADORA1HSP90AA1
SCHEMBL21050315 0.90 AHCY (0.38) LMNATP53ADORA3ADORA1HSP90AA1
SCHEMBL21050236 0.90 AHCY (0.38) LMNATP53ADORA3ADORA1HSP90AA1
SCHEMBL21050287 0.90 AHCY (0.39) LMNATP53ADORA3ADORA1HSP90AA1
SCHEMBL21050251 0.90 ADORA3 (0.54) LMNATP53ADORA3ADORA1HSP90AA1
SCHEMBL21100349 0.81 LMNA (0.47) LMNATP53ADORA3ADORA1HSP90AA1
SCHEMBL21050244 0.81 HTR2B (0.36) ADORA3ADORA1HTR2B
SCHEMBL21050265 0.81 HTR2B (0.36) ADORA3ADORA1HTR2B

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 6 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 claimed
US-20190177326-A1 CARBOCYCLIC NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2019-06-13 — — US claimed
US-11040975-B2 Carbocyclic nucleoside reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. (US) 2021-06-22 — — US disclosed
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
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 LMNA 2815/4885TP53 4364/4885ADORA3 712/4885
US-20190177326-A1 CARBOCYCLIC NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS SAMHD1, POLRMT, RNGTT LMNA 2815/4885TP53 4364/4885ADORA3 712/4885

“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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