SCHEMBL21100356

SCHEMBL21100356

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 4/20 0.40
▸ HTR2B P41595 4/20 0.37
▸ HTR2C P28335 3/20 0.37
▸ TMIGD3 P0DMS9 2/20 0.37
▸ LMNA P02545 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ ADORA3 P0DMS8 4/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ HSP90B1 P14625 1/20 0.36
▸ ADORA1 P30542 2/20 0.36
▸ NT5E P21589 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ ADORA2A P29274 2/20 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
SCHEMBL21100349 0.89 LMNA (0.47) HTR2BHTR2CTMIGD3LMNATP53
SCHEMBL21100354 0.87 AHCY (0.54) AHCYLMNATP53ADORA3HSP90AA1
SCHEMBL21100456 0.87 AHCY (0.41) AHCYHTR2BHTR2CTMIGD3LMNA
SCHEMBL21100455 0.83 AHCY (0.34) AHCYHTR2BHTR2CTMIGD3LMNA
SCHEMBL21050236 0.82 AHCY (0.38) AHCYHTR2BHTR2CTMIGD3LMNA
SCHEMBL21100454 0.82 AHCY (0.38) AHCYHTR2BHTR2CTMIGD3LMNA
SCHEMBL21050315 0.82 AHCY (0.38) AHCYHTR2BHTR2CTMIGD3LMNA
SCHEMBL21100284 0.80 ADORA3 (0.57) LMNATP53ADORA3HSP90AA1HSP90B1
SCHEMBL21257360 0.79 ADORA3 (0.60) HTR2BHTR2CTMIGD3ADORA3ADORA1
Phosphoric Acid SCHEMBL21050313 0.79 P2RY1 (0.36) AHCYNT5E

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 206/4885HTR2B 3381/4885HTR2C 3983/4885
US-20190177326-A1 CARBOCYCLIC NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS SAMHD1, POLRMT, RNGTT AHCY 206/4885HTR2B 3381/4885HTR2C 3983/4885

“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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