SCHEMBL17963574

SCHEMBL17963574

CC(C)[Si](C#CC(O)(c1cccnc1)C(F)(F)F)(C(C)C)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.42
▸ CYP3A5 P20815 3/20 0.42
▸ KCNA5 P22460 5/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ NR1H2 P55055 1/20 0.39
▸ CYP19A1 P11511 5/20 0.39
▸ KDM4E B2RXH2 1/20 0.36

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
SCHEMBL2464999 0.84 CACNA2D1 (0.40) NR1H2KDM4E
SCHEMBL17974973 0.81 KCNA5 (0.44) CYP3A4CYP3A5KCNA5CYP19A1KDM4E
SCHEMBL20724247 0.80 CYP3A4 (0.44) CYP3A4CYP3A5KCNA5KCNH2NR1H2
SCHEMBL17963323 0.74 CYP3A4 (0.46) CYP3A4CYP3A5KCNA5CYP19A1
SCHEMBL10044245 0.69 CYP19A1 (0.49) CYP3A4CYP3A5KCNA5CYP19A1
SCHEMBL29756226 0.69 CYP3A4 (0.49) CYP3A4CYP3A5KCNA5KCNH2CYP19A1
SCHEMBL13887338 0.68 KCNA5 (0.53) CYP3A4CYP3A5KCNA5NR1H2CYP19A1
SCHEMBL27888098 0.68 CYP19A1 (0.52) CYP3A4CYP3A5KCNA5CYP19A1
SCHEMBL17974910 0.68 MKNK1 (0.44) CYP3A4KCNA5CYP19A1
SCHEMBL31252158 0.67 KDM4E (0.47) CYP3A4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10202378-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-02-12 — — US disclosed
US-20180009805-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-01-11 — — US disclosed
EP-3250571-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF Genentech, Inc. (US) 2017-12-06 — — EP disclosed
WO-2016123391-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-08-04 — — WO disclosed
WO-2016123391-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-08-04 — — WO 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-10202378-B2 Therapeutic compounds and uses thereof TAF1, TAF1L, TAF1B CYP3A4 4039/4885CYP3A5 3354/4885KCNA5 4220/4885
US-20180009805-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF TAF1, TAF1L, TAF1B CYP3A4 4039/4885CYP3A5 3354/4885KCNA5 4220/4885

“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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