SCHEMBL18788378

SCHEMBL18788378

CCCCOC[C@H]1OC(c2cnc3c(N)nc(N)nn23)[C@H](F)[C@@H]1OCCCC

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 1/20 0.34
▸ PKM P14618 1/20 0.31
▸ DHFR P00374 1/20 0.31
▸ CSNK1A1 P48729 1/20 0.30
▸ CSNK1D P48730 1/20 0.30
▸ PRKCD Q05655 1/20 0.30
▸ PAK1 Q13153 1/20 0.30
▸ CAMK2B Q13554 1/20 0.30
▸ CAMK2G Q13555 1/20 0.30
▸ CAMK2D Q13557 1/20 0.30
▸ TAOK1 Q7L7X3 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
SCHEMBL15259016 1.00 PDE2A (0.34) PDE2APKMDHFRCSNK1A1CSNK1D
SCHEMBL15289730 1.00 PDE2A (0.34) PDE2APKMDHFRCSNK1A1CSNK1D
SCHEMBL15259029 0.92 PDE2A (0.33) PDE2A
SCHEMBL15259053 0.92 PDE2A (0.33) PDE2A
SCHEMBL19292097 0.92 PDE2A (0.33) PDE2A
SCHEMBL15259014 0.89 PDE2A (0.32) PDE2A
SCHEMBL15289731 0.88 PDE2A (0.33) PDE2A
SCHEMBL15259015 0.88 PDE2A (0.33) PDE2A
SCHEMBL18359731 0.88 PDE2A (0.33) PDE2A
SCHEMBL15259017 0.86 GJB2 (0.32) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170114086-A1 2'- SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. 2017-04-27 — — 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 (1 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-20170114086-A1 2'- SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT PNP, SLC29A1, RNMT PDE2A 507/4885PKM 1732/4885DHFR 3141/4885

“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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