SCHEMBL3516319

SCHEMBL3516319

CN1C(=O)C(C)(C)c2cc(Br)cnc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.40
BACE1 P56817 5/20 0.36
CTSD P07339 1/20 0.35
MARK3 P27448 1/20 0.35
PDE4A P27815 2/20 0.35
PDE4B Q07343 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
MMP14 P50281 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ITGB2 P05107 2/20 0.32
ICAM1 P05362 2/20 0.32
ITGAL P20701 2/20 0.32
AKR1B1 P15121 1/20 0.32

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
SCHEMBL8134897 0.83 HSD17B10 (0.40) HSD17B10BACE1CTSDRXFP1AKR1B1
SCHEMBL31180516 0.82 HSD17B10 (0.39) HSD17B10BACE1CTSDRXFP1AKR1B1
SCHEMBL46311 0.81 MARK3 (0.36) BACE1MARK3PDE4APDE4BPDE4C
SCHEMBL18851017 0.78 MARK3 (0.38) MARK3PDE4APDE4BPDE4CPDE4D
SCHEMBL18850914 0.78 MARK3 (0.34) MARK3PDE4APDE4BPDE4CPDE4D
SCHEMBL8624572 0.76 MARK3 (0.33) MARK3PDE4APDE4BPDE4CPDE4D
SCHEMBL31180609 0.75 MEN1 (0.39) MAPTL3MBTL1
SCHEMBL9469232 0.74 ELANE (0.53) MARK3ITGB2ICAM1ITGALALDH1A1
SCHEMBL16427468 0.73 HSD17B10 (0.40) HSD17B10PDE4APDE4BPDE4CPDE4D
SCHEMBL3514989 0.73 FFAR1 (0.35) BACE1MARK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108137561-B Indolin-2-one derivatives 豪夫迈·罗氏有限公司 2021-03-26 CN disclosed
EP-3371174-B1 INDOLIN-2-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2021-03-17 EP disclosed
EP-3371174-B1 INDOLIN-2-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2021-03-17 EP disclosed
EP-3371174-A1 INDOLIN-2-ONE DERIVATIVES H. Hoffnabb-La Roche Ag (CH) 2018-09-12 EP disclosed
US-20180251450-A1 INDOLIN-2-ONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-09-06 US disclosed
WO-2017076842-A1 INDOLIN-2-ONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2017-05-11 WO disclosed
WO-2017076842-A1 INDOLIN-2-ONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2017-05-11 WO disclosed
WO-2014089324-A1 SUBSTITUTED CYCLIC COMPOUNDS AND METHODS OF USE CALITOR SCIENCES, LLC (US) 2014-06-12 WO disclosed
US-20140005163-A1 1H-IMIDAZO[4,5-C]QUINOLINONE DERIVATIVES NOVARTIS AG (CH) 2014-01-02 US disclosed
US-8476294-B2 1H-imidazo[4,5-c]quinolinone derivatives NOVARTIS AG (CH) 2013-07-02 US disclosed
US-8476294-B2 1H-imidazo[4,5-c]quinolinone derivatives NOVARTIS AG (CH) 2013-07-02 US disclosed
US-8476294-B2 1H-imidazo[4,5-c]quinolinone derivatives NOVARTIS AG (CH) 2013-07-02 US disclosed
WO-2011151434-A1 NOVEL COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2011-12-08 WO disclosed
US-20100317657-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES NOVARTIS AG 2010-12-16 US disclosed
US-20100317657-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES NOVARTIS AG 2010-12-16 US disclosed
US-20100317657-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES NOVARTIS AG 2010-12-16 US disclosed
US-5767128-A ANALGESICS ADIR ET COMPAGNIE (FR) 1998-06-16 US disclosed
US-5618819-A ANALGESICS ADIR ET COMPAGNIE (FR) 1997-04-08 US disclosed
EP-0691339-A1 Amine derivatives of 1,3-dihydro-2H-pyrrolo(2,3-b)pyridin-2-ones and oxazolo(4,5-b)pyridin-2(3H)-ones, their process of preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-01-10 EP 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 (3 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-20180251450-A1 INDOLIN-2-ONE DERIVATIVES GRIN2B, GRIN2A, TPH2 HSD17B10 1309/4885BACE1 54/4885CTSD 3497/4885
US-20100317657-A1 1H-IMIDAZO[4,5-c]QUINOLINONE DERIVATIVES PRKCA, CSNK1A1, ABL1 HSD17B10 2143/4885BACE1 4193/4885CTSD 3769/4885
US-20140005163-A1 1H-IMIDAZO[4,5-C]QUINOLINONE DERIVATIVES PRKCA, CSNK1A1, ABL1 HSD17B10 2143/4885BACE1 4193/4885CTSD 3769/4885

“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.