SCHEMBL17131350

SCHEMBL17131350

CC[C@H]1O[C@@H](c2cnc3c(N)ncnn23)[C@H](OCc2ccccc2)[C@@H]1C

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 1/20 0.33
▸ HSPA5 P11021 1/20 0.32
▸ RET P07949 1/20 0.32
▸ AHCY P23526 2/20 0.31
▸ TNK2 Q07912 2/20 0.31
▸ PIK3CD O00329 1/20 0.30
▸ PIK3CA P42336 1/20 0.30
▸ PIK3CB P42338 1/20 0.30
▸ PIK3CG P48736 1/20 0.30
▸ PRKDC P78527 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
SCHEMBL18510824 1.00 PDE2A (0.33) PDE2AHSPA5RETAHCYTNK2
SCHEMBL25495991 1.00 PDE2A (0.33) PDE2AHSPA5RETAHCYTNK2
SCHEMBL17131352 0.87 SLC29A1 (0.31) —
SCHEMBL18371661 0.85 POLRMT (0.33) PDE2AHSPA5RETAHCYTNK2
SCHEMBL16708471 0.85 POLRMT (0.33) PDE2AHSPA5RETAHCYTNK2
SCHEMBL17106846 0.83 PDE2A (0.44) PDE2AHSPA5
SCHEMBL18490316 0.83 PDE2A (0.44) PDE2AHSPA5
SCHEMBL25379329 0.83 PDE2A (0.44) PDE2AHSPA5
SCHEMBL17106844 0.83 PDE2A (0.44) PDE2AHSPA5
SCHEMBL20434839 0.83 PDE2A (0.44) PDE2AHSPA5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180002366-A1 4'-SUBSTITUTED NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-01-04 — — US disclosed
US-9777035-B2 4′-substituted nucleoside reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-10-03 — — US disclosed
US-20150274767-A1 4'-SUBSTITUTED NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-10-01 — — 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-20180002366-A1 4'-SUBSTITUTED NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS DUT, HPRT1, RNGTT PDE2A 1359/4885HSPA5 4096/4885RET 3499/4885
US-20150274767-A1 4'-SUBSTITUTED NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS DUT, HPRT1, RNGTT PDE2A 1359/4885HSPA5 4096/4885RET 3499/4885

“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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