SCHEMBL9977168

SCHEMBL9977168

C[Si](C)(C)CCOCn1c(-c2ccc(-c3cc[nH]c(=O)c3)cc2)cnc1C1CCCC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F11 P03951 2/20 0.34
PRKAB2 O43741 1/20 0.34
PRKAG1 P54619 1/20 0.34
PRKAA2 P54646 1/20 0.34
PRKAA1 Q13131 1/20 0.34
PRKAG3 Q9UGI9 1/20 0.34
PRKAG2 Q9UGJ0 1/20 0.34
PRKAB1 Q9Y478 1/20 0.34
ALDH2 P05091 2/20 0.32
CPT1A P50416 1/20 0.32
ROCK2 O75116 1/20 0.32
NOTUM Q6P988 1/20 0.32
DGAT1 O75907 1/20 0.32
AURKA O14965 2/20 0.31
JAK2 O60674 2/20 0.31
JAK1 P23458 2/20 0.31
KDR P35968 2/20 0.31
FLT3 P36888 2/20 0.31
BTK Q06187 1/20 0.31
HTR3A P46098 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
SCHEMBL19339844 0.87 F11 (0.33) F11PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL28059704 0.84 CPT1A (0.39) F11PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL2706920 0.81 CPT1A (0.36) CPT1A
SCHEMBL18462474 0.81 CPT1A (0.36) CPT1A
SCHEMBL203417 0.81 CPT1A (0.36) CPT1A
SCHEMBL27963922 0.79 ALDH2 (0.35) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL27865210 0.73 ALDH2 (0.33) F11ALDH2NOTUM
SCHEMBL15746312 0.71 LMNA (0.34) F11DGAT1
SCHEMBL31434771 0.70 PRMT5 (0.38) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL9977254 0.69 CHRNB2 (0.32) DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170029408-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-02-02 US disclosed
US-9511056-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2016-12-06 US disclosed
US-8841278-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2014-09-23 US disclosed
US-20140249074-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2014-09-04 US disclosed
US-8822430-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2014-09-02 US disclosed
US-8669234-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2014-03-11 US disclosed
US-20140051656-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-20 US disclosed
US-20140039021-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-06 US disclosed
US-8575118-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-11-05 US disclosed
US-20120264711-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-10-18 US disclosed
US-20120157404-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-06-21 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 (6 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-20140051656-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 F11 3332/4885PRKAB2 3783/4885PRKAG1 3362/4885
US-20170029408-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 F11 3332/4885PRKAB2 3783/4885PRKAG1 3362/4885
US-20120264711-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 F11 3332/4885PRKAB2 3783/4885PRKAG1 3362/4885
US-20120157404-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 F11 3332/4885PRKAB2 3783/4885PRKAG1 3362/4885
US-20140039021-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 F11 3332/4885PRKAB2 3783/4885PRKAG1 3362/4885
US-20140249074-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 F11 3332/4885PRKAB2 3783/4885PRKAG1 3362/4885

“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.