SCHEMBL8140708

SCHEMBL8140708

COc1cccc(NC(=O)C(C)(C)C)c1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.57
▸ LMNA P02545 1/20 0.57
▸ ALOX12 P18054 1/20 0.57
▸ PDK1 Q15118 4/20 0.55
▸ PDK2 Q15119 4/20 0.55
▸ PDK3 Q15120 4/20 0.55
▸ PDK4 Q16654 4/20 0.55
▸ CETP P11597 1/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ RAB9A P51151 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ JAK2 O60674 1/20 0.46
▸ APLNR P35414 1/20 0.44
▸ METAP2 P50579 1/20 0.44

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
SCHEMBL1030263 0.85 LMNA (0.74) KDM4ELMNAALOX12PDK1PDK2
SCHEMBL3785961 0.85 CETP (0.58) KDM4ELMNAPDK1PDK2PDK3
SCHEMBL18021884 0.83 LMNA (0.58) KDM4ELMNAALOX12PDK1PDK2
SCHEMBL11499021 0.82 KMT2A (0.50) KDM4EKMT2ARAB9AMAPTMEN1
SCHEMBL10046356 0.81 KDM4E (0.57) KDM4ELMNAALOX12PDK1PDK2
SCHEMBL7928023 0.81 LMNA (0.57) KDM4ELMNAALOX12PDK1PDK2
SCHEMBL1983314 0.81 KDM4E (0.57) KDM4ELMNAALOX12PDK1PDK2
SCHEMBL20310343 0.81 ALDH1A1 (0.58) KDM4ELMNAKMT2ARAB9AMAPT
SCHEMBL15621420 0.80 PDK1 (0.69) LMNAPDK1PDK2PDK3PDK4
SCHEMBL8806924 0.80 CA12 (0.59) KDM4ELMNAALOX12PDK1PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2162431-B1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES INC (US) 2017-06-07 — — EP disclosed
CN-102731381-B The polysubstituted aryl of 6-()-4-aminopyridine formic acid esters and the purposes as herbicide thereof 美国陶氏益农公司 2016-08-17 — — CN disclosed
US-20150080569-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2015-03-19 — — US disclosed
US-8809266-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2014-08-19 — — US disclosed
US-20130274439-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2013-10-17 — — US disclosed
US-8420597-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-04-16 — — US disclosed
US-20130053577-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-02-28 — — US disclosed
US-8283442-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-10-09 — — US disclosed
US-20120190866-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-07-26 — — US disclosed
US-8178491-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-05-15 — — US disclosed
US-8178491-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-05-15 — — US disclosed
US-20090257978-A1 Antiviral coumpounds GILEAD SCIENCES, INC. (US) 2009-10-15 — — US disclosed
US-20090257978-A1 Antiviral coumpounds GILEAD SCIENCES, INC. (US) 2009-10-15 — — US disclosed
WO-2009005676-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2009-01-08 — — 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 (5 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-20130274439-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 KDM4E 2496/4885LMNA 1353/4885ALOX12 3113/4885
US-20090257978-A1 Antiviral coumpounds MAVS, ZC3HAV1, EIF2AK2 KDM4E 2399/4885LMNA 1597/4885ALOX12 2613/4885
US-20130053577-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 KDM4E 2496/4885LMNA 1353/4885ALOX12 3113/4885
US-20120190866-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 KDM4E 2496/4885LMNA 1353/4885ALOX12 3113/4885
US-20150080569-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 KDM4E 2496/4885LMNA 1353/4885ALOX12 3113/4885

“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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