SCHEMBL14926013

SCHEMBL14926013

Cn1cc(Br)cc(Nc2ccc(C3=CCN(C(=O)OC(C)(C)C)CC3)cn2)c1=O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.46
▸ NAMPT P43490 2/20 0.44
▸ CYP11B2 P19099 1/20 0.43
▸ CDK7 P50613 1/20 0.42
▸ CDK13 Q14004 1/20 0.42
▸ CDK12 Q9NYV4 1/20 0.42
▸ GRM1 Q13255 7/20 0.41
▸ GRM5 P41594 6/20 0.41
▸ PDK4 Q16654 1/20 0.41
▸ CDK9 P50750 2/20 0.40
▸ WNT3A P56704 1/20 0.40
▸ CCNT1 O60563 1/20 0.40
▸ KIT P10721 1/20 0.40
▸ JAK1 P23458 1/20 0.40

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
SCHEMBL30512305 1.00 BRD4 (0.46) BRD4NAMPTCYP11B2CDK7CDK13
SCHEMBL14912248 0.88 NAMPT (0.42) NAMPT
SCHEMBL29925252 0.85 NAMPT (0.41) BRD4NAMPTWNT3AKIT
SCHEMBL26222770 0.83 WNT3A (0.51) BRD4NAMPTGRM1GRM5PDK4
SCHEMBL10268088 0.83 CYP11B2 (0.44) BRD4NAMPTCYP11B2CDK7CDK13
SCHEMBL10256044 0.80 WNT3A (0.48) CDK9WNT3A
SCHEMBL28376264 0.79 DDB1 (0.56) NAMPTWNT3AJAK1
SCHEMBL10255802 0.78 DDB1 (0.45) BRD4WNT3A
SCHEMBL10255973 0.78 NR1H2 (0.44) NAMPT
SCHEMBL23306173 0.78 NAMPT (0.55) NAMPTCYP11B2CDK7CDK13CDK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180071286-A1 HETEROARYL PYRIDONE AND AZA-PYRODINE COMPOUNDS GENENTECH, INC. (US) 2018-03-15 — — US disclosed
US-9782405-B2 Heteroaryl pyridone and aza-pyrodine compounds GENENTECH, INC. (US) 2017-10-10 — — US disclosed
US-9782405-B2 Heteroaryl pyridone and aza-pyrodine compounds GENENTECH, INC. (US) 2017-10-10 — — US disclosed
US-20160228432-A1 HETEROARYL PYRIDONE AND AZA-PYRODINE COMPOUNDS GENENTECH, INC. (US) 2016-08-11 — — US disclosed
US-20160228432-A1 HETEROARYL PYRIDONE AND AZA-PYRODINE COMPOUNDS GENENTECH, INC. (US) 2016-08-11 — — US disclosed
EP-3002284-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY F. Hoffmann-La Roche AG (CH) 2016-04-06 — — EP disclosed
US-9238655-B2 Heteroaryl pyridone and aza-pyridone compounds GENENTECH, INC. (US) 2016-01-19 — — US disclosed
US-9238655-B2 Heteroaryl pyridone and aza-pyridone compounds GENENTECH, INC. (US) 2016-01-19 — — US disclosed
EP-2773638-B1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY HOFFMANN LA ROCHE (CH) 2015-10-07 — — EP disclosed
US-8921353-B2 Heteroaryl pyridone and aza-pyridone compounds GENENTECH, INC. (US) 2014-12-30 — — US disclosed
US-8921353-B2 Heteroaryl pyridone and aza-pyridone compounds GENENTECH, INC. (US) 2014-12-30 — — US disclosed
US-20140378432-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH INC (US) 2014-12-25 — — US disclosed
US-20140378432-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH INC (US) 2014-12-25 — — US disclosed
US-20140194408-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH, INC. (US) 2014-07-10 — — US disclosed
US-20140194408-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH, INC. (US) 2014-07-10 — — US disclosed
US-8716274-B2 Heteroaryl pyridone and aza-pyridone compounds GENENTECH, INC. (US) 2014-05-06 — — US disclosed
US-8716274-B2 Heteroaryl pyridone and aza-pyridone compounds GENENTECH, INC. (US) 2014-05-06 — — US disclosed
WO-2013067274-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY GENENTECH, INC. (US) 2013-05-10 — — WO disclosed
US-20130116235-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH, INC. (US) 2013-05-09 — — US disclosed
US-20130116235-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS GENENTECH, INC. (US) 2013-05-09 — — 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 (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-20160228432-A1 HETEROARYL PYRIDONE AND AZA-PYRODINE COMPOUNDS TYK2, BTK, PDXK BRD4 495/4885NAMPT 1047/4885CYP11B2 757/4885
US-20180071286-A1 HETEROARYL PYRIDONE AND AZA-PYRODINE COMPOUNDS TYK2, BTK, PDXK BRD4 495/4885NAMPT 1047/4885CYP11B2 757/4885
US-20130116235-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS BTK, PDXK, TYK2 BRD4 571/4885NAMPT 1452/4885CYP11B2 780/4885
US-20140378432-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS PDXK, BTK, TYK2 BRD4 440/4885NAMPT 897/4885CYP11B2 1114/4885
US-20140194408-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS BTK, PDXK, TYK2 BRD4 571/4885NAMPT 1452/4885CYP11B2 780/4885

“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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