SCHEMBL12243128

SCHEMBL12243128

CC1(c2ccc3c(N)ncnn23)O[C@H](CO)[C@@H](O)[C@@]1(C)O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 2/20 0.38
▸ TMPRSS2 O15393 1/20 0.37
▸ PI4KA P42356 1/20 0.33
▸ PI4K2B Q8TCG2 1/20 0.33
▸ PI4K2A Q9BTU6 1/20 0.33
▸ PI4KB Q9UBF8 1/20 0.33
▸ POLRMT O00411 1/20 0.33
▸ TNK2 Q07912 1/20 0.30
▸ PRMT5 O14744 3/20 0.30
▸ WDR77 Q9BQA1 3/20 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
SCHEMBL12393219 1.00 ADORA2A (0.38) ADORA2ATMPRSS2PI4KAPI4K2BPI4K2A
SCHEMBL12243240 0.89 ADORA2A (0.38) ADORA2ATMPRSS2PI4KAPI4K2BPI4K2A
SCHEMBL16519851 0.89 ADORA2A (0.38) ADORA2ATMPRSS2PI4KAPI4K2BPI4K2A
SCHEMBL881391 0.88 ADORA2A (0.35) ADORA2ATMPRSS2PI4KAPI4K2BPI4K2A
SCHEMBL19636569 0.88 TMPRSS2 (0.39) ADORA2ATMPRSS2PI4KAPI4K2BPI4K2A
SCHEMBL12393401 0.87 TMPRSS2 (0.36) ADORA2ATMPRSS2
SCHEMBL12393365 0.87 ADORA2A (0.37) ADORA2ATMPRSS2PI4KAPI4K2BPI4K2A
SCHEMBL15325132 0.86 TMPRSS2 (0.42) ADORA2ATMPRSS2POLRMT
SCHEMBL16519887 0.85 ADORA2A (0.36) ADORA2ATMPRSS2PI4KAPI4K2BPI4K2A
SCHEMBL12243243 0.85 ADORA2A (0.36) ADORA2ATMPRSS2PI4KAPI4K2BPI4K2A

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-10023600-B2 Processes and intermediates for the preparation of 1′-substituted carba-nucleoside analogs GILEAD SCIENCES, INC. (US) 2018-07-17 — — US disclosed
US-20110230654-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF 1'-SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS GILEAD SCIENCES, INC. (US) 2011-09-22 — — 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-10023600-B2 Processes and intermediates for the preparation of 1′-substituted carba-nucleoside analogs PNP, TYMP, CDA ADORA2A 130/4885TMPRSS2 4714/4885PI4KA 402/4885
US-20110230654-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF 1'-SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS PNP, TYMP, CDA ADORA2A 162/4885TMPRSS2 4673/4885PI4KA 407/4885

“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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