SCHEMBL20653922

SCHEMBL20653922

Nc1nc(N)c2ncc([C@@H]3O[C@@H]4C(OCc5ccccc5)[C@@]4(OCc4ccccc4)[C@H]3F)n2n1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 1/20 0.32
▸ CDK1 P06493 1/20 0.32
▸ CCNB1 P14635 1/20 0.32
▸ MGMT P16455 1/20 0.32
▸ CCNA2 P20248 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ CCNA1 P78396 1/20 0.32
▸ DCPS Q96C86 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ HPGD P15428 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
SCHEMBL18788389 0.92 PDE2A (0.32) PDE2A
SCHEMBL18788387 0.87 PDE2A (0.31) PDE2A
SCHEMBL19778888 0.78 — —
SCHEMBL19779077 0.78 — —
SCHEMBL18788255 0.77 TP53 (0.31) —
SCHEMBL18787327 0.76 BCHE (0.32) —
SCHEMBL18787315 0.74 PDE2A (0.52) PDE2A
SCHEMBL12253818 0.73 PDE2A (0.37) PDE2ACDK1CCNB1MGMTCCNA2
SCHEMBL20404119 0.71 PDE2A (0.42) PDE2ACDK1CCNB1MGMTCCNA2
SCHEMBL13648874 0.70 PDE2A (0.44) PDE2A

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-10941177-B2 2′-substituted carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2021-03-09 — — US disclosed
US-20190016749-A1 2'-SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2019-01-17 — — 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-20190016749-A1 2'-SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT PNP, SLC29A1, RNMT PDE2A 507/4885CDK1 443/4885CCNB1 1109/4885
US-10941177-B2 2′-substituted carba-nucleoside analogs for antiviral treatment PNP, RNMT, SLC29A1 PDE2A 491/4885CDK1 448/4885CCNB1 1181/4885

“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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