SCHEMBL14038965

SCHEMBL14038965

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

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TNK2 Q07912 1/20 0.32
▸ 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
SCHEMBL12393291 1.00 TNK2 (0.32) TNK2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL12393308 0.88 CDK1 (0.31) —
SCHEMBL12243189 0.87 TNK2 (0.33) TNK2PIK3CD
SCHEMBL19997438 0.85 HSPA5 (0.34) TNK2
SCHEMBL12243145 0.74 TNK2 (0.35) TNK2
SCHEMBL14039037 0.74 TNK2 (0.35) TNK2
SCHEMBL25495992 0.74 TNK2 (0.35) TNK2
SCHEMBL18510823 0.74 TNK2 (0.35) TNK2
SCHEMBL12393235 0.73 HSPA5 (0.37) TNK2
SCHEMBL12393305 0.73 KDM4E (0.32) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE46762-E1 1′-substituted carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC (US) 2018-03-27 — — US disclosed
US-8853171-B2 1′-substituted carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2014-10-07 — — US disclosed
US-20130034521-A1 1'-SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2013-02-07 — — US disclosed
US-8318682-B2 1′substituted carba-nucleoside analogs for antiviral treatment GILEAD SCIENCES, INC. (US) 2012-11-27 — — 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-20130034521-A1 1'-SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT PNP, MTAP, SLC29A1 TNK2 1494/4885PIK3CD 334/4885PIK3CA 85/4885

“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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