SCHEMBL3847043

SCHEMBL3847043

CC(C)(C)OC(=O)NCc1cccc(-c2ccc(Cl)nn2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 3/20 0.47
▸ CREBBP Q92793 1/20 0.47
▸ GLS O94925 4/20 0.47
▸ ACACB O00763 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ ACACA Q13085 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ CTSB P07858 1/20 0.41
▸ CTSS P25774 1/20 0.41
▸ CTSK P43235 1/20 0.41
▸ DYRK1A Q13627 1/20 0.41
▸ CCKBR P32239 1/20 0.41
▸ CTSL P07711 1/20 0.41

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
SCHEMBL16894164 0.85 BRD4 (0.45) BRD4CREBBPGLSACACBCYP1A2
SCHEMBL30504293 0.82 HDAC1 (0.56) BRD4CREBBPGLSHDAC1CTSB
SCHEMBL31755970 0.81 BRD4 (0.49) BRD4CREBBPGLSACACBCYP1A2
SCHEMBL4402738 0.81 BRD4 (0.49) BRD4CREBBPGLSACACBCYP1A2
SCHEMBL5581572 0.80 ACACB (0.45) BRD4CREBBPGLSACACBCYP1A2
SCHEMBL16784887 0.80 BRD4 (0.48) BRD4CREBBPGLSCYP3A4L3MBTL1
SCHEMBL18664426 0.80 HDAC1 (0.60) BRD4CREBBPGLSHDAC1CTSB
SCHEMBL4896439 0.80 BRD4 (0.50) BRD4CREBBPGLSACACBCYP1A2
SCHEMBL29773347 0.80 BRD4 (0.50) BRD4CREBBPGLSACACBCYP1A2
SCHEMBL16410240 0.79 BRD4 (0.53) BRD4CREBBPGLSHDAC1CTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8314087-B2 Nitrogen-containing heterocyclyl ketones and methods of use AMGEN INC. (US) 2012-11-20 — — US disclosed
US-8314087-B2 Nitrogen-containing heterocyclyl ketones and methods of use AMGEN INC. (US) 2012-11-20 — — US disclosed
US-8314087-B2 Nitrogen-containing heterocyclyl ketones and methods of use AMGEN INC. (US) 2012-11-20 — — US disclosed
EP-2114898-A2 NITROGEN-CONTAINING HETEROCYCLYL KETONES AND THEIR USE AS C-MET INHIBITORS Amgen Inc. (US) 2009-11-11 — — EP disclosed
US-20080280917-A1 Nitrogen-Containing heterocyclyl ketones and methods of use AMGEN INC. (US) 2008-11-13 — — US disclosed
US-20080280917-A1 Nitrogen-Containing heterocyclyl ketones and methods of use AMGEN INC. (US) 2008-11-13 — — US disclosed
US-20080280917-A1 Nitrogen-Containing heterocyclyl ketones and methods of use AMGEN INC. (US) 2008-11-13 — — US disclosed
WO-2008103277-A2 NITROGEN-CONTAINING HETEROCYCLYL KETONES AND THEIR USE AS C-MET INHIBITORS AMGEN INC. (US) 2008-08-28 — — WO disclosed
WO-2008103277-A2 NITROGEN-CONTAINING HETEROCYCLYL KETONES AND THEIR USE AS C-MET INHIBITORS AMGEN INC. (US) 2008-08-28 — — 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 (1 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-20080280917-A1 Nitrogen-Containing heterocyclyl ketones and methods of use HGF, HGFAC, MET BRD4 3318/4885CREBBP 863/4885GLS 34/4885

“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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