SCHEMBL12170337

SCHEMBL12170337

C=c1cc(C)c2c(C)n(C(C)C)c3nc(C)nc([nH]1)c23

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL12787399 0.54 MTOR (0.38) ALDH1A1
SCHEMBL19657080 0.50 ALDH1A1 (0.56) ALDH1A1
SCHEMBL18407474 0.48 ALDH1A1 (0.32) ALDH1A1
SCHEMBL21093207 0.48 SMN1; SMN2 (0.38) ALDH1A1
SCHEMBL23547316 0.47 DAPK1 (0.38)
SCHEMBL19366633 0.47 ALDH1A1 (0.41) ALDH1A1
SCHEMBL27405153 0.47 ADORA1 (0.41)
SCHEMBL1520741 0.47 ALDH1A1 (0.60) ALDH1A1
SCHEMBL12580853 0.47 PIK3CA (0.35)
SCHEMBL13180796 0.47 ALDH1A1 (0.33) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9676808-B2 2′,4′-substituted nucleosides as antiviral agents GILEAD PHARMASSET LLC (US) 2017-06-13 US disclosed
US-20160280735-A1 2',4'-SUBSTITUTED NUCLEOSIDES AS ANTIVIRAL AGENTS GILEAD SCIENCES, INC. 2016-09-29 US disclosed
US-9296777-B2 2′,4′-substituted nucleosides as antiviral agents GILEAD PHARMASSET LLC (US) 2016-03-29 US disclosed
US-20140235563-A1 2',4'-SUBSTITUTED NUCLEOSIDES AS ANTIVIRAL AGENTS GILEAD SCIENCES, INC. (US) 2014-08-21 US disclosed
US-8765710-B2 2′,4′-substituted nucleosides as antiviral agents GILEAD PHARMASSET LLC (US) 2014-07-01 US disclosed
US-20120232029-A1 2',4'-SUBSTITUTED NUCLEOSIDES AS ANTIVIRAL AGENTS PHARMASSET, INC. (US) 2012-09-13 US disclosed
US-20090318380-A1 2',4'-SUBSTITUTED NUCLEOSIDES AS ANTIVIRAL AGENTS PHARMASSET, INC. (US) 2009-12-24 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 (4 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-20090318380-A1 2',4'-SUBSTITUTED NUCLEOSIDES AS ANTIVIRAL AGENTS HAVCR2, NUDT1, NT5C3B ALDH1A1 961/4885
US-20120232029-A1 2',4'-SUBSTITUTED NUCLEOSIDES AS ANTIVIRAL AGENTS HAVCR2, NUDT1, NT5C3B ALDH1A1 961/4885
US-20140235563-A1 2',4'-SUBSTITUTED NUCLEOSIDES AS ANTIVIRAL AGENTS HAVCR2, NUDT1, NT5C3B ALDH1A1 961/4885
US-20160280735-A1 2',4'-SUBSTITUTED NUCLEOSIDES AS ANTIVIRAL AGENTS HAVCR2, NUDT1, NT5C3B ALDH1A1 961/4885

“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.