SCHEMBL21318428

SCHEMBL21318428

CCCCCCCC/C=C\CCCCCCCCNC(=O)[C@@H](N)Cc1ccc(OP(=O)(O)CO[C@H](CO)Cn2cnc3c(N)ncnc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 14/20 0.47
▸ CYP2D6 P10635 13/20 0.47
▸ FGFR1 P11362 2/20 0.45
▸ ATM Q13315 1/20 0.38

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
SCHEMBL21318448 1.00 CYP3A4 (0.47) CYP3A4CYP2D6FGFR1ATM
SCHEMBL15633560 0.96 CYP3A4 (0.51) CYP3A4CYP2D6FGFR1
SCHEMBL15633489 0.96 CYP3A4 (0.51) CYP3A4CYP2D6FGFR1
SCHEMBL15634070 0.96 CYP3A4 (0.51) CYP3A4CYP2D6FGFR1
SCHEMBL15633919 0.96 CYP3A4 (0.51) CYP3A4CYP2D6FGFR1
SCHEMBL15633881 0.96 CYP3A4 (0.51) CYP3A4CYP2D6FGFR1
SCHEMBL21318454 0.93 CYP3A4 (0.53) CYP3A4CYP2D6FGFR1
SCHEMBL21318447 0.92 CYP3A4 (0.54) CYP3A4CYP2D6FGFR1
SCHEMBL2547442 0.85 CYP3A4 (0.47) CYP3A4CYP2D6ATM
SCHEMBL15633920 0.84 CYP3A4 (0.51) CYP3A4CYP2D6FGFR1

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-10919922-B2 Broad spectrum antiviral compounds UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2021-02-16 — — US disclosed
US-20190270762-A1 NOVEL BROAD SPECTRUM ANTIVIRAL COMPOUNDS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2019-09-05 — — 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-10919922-B2 Broad spectrum antiviral compounds ABL1, TH, SLC7A1 CYP3A4 79/4885CYP2D6 92/4885FGFR1 464/4885
US-20190270762-A1 NOVEL BROAD SPECTRUM ANTIVIRAL COMPOUNDS ZC3HAV1, ZC3HAV1L, EIF2AK2 CYP3A4 2087/4885CYP2D6 1774/4885FGFR1 4260/4885

“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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